| Revision as of 15:26, 18 April 2011 editCheMoBot (talk | contribs)Bots141,565 edits Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref', 'ChEMBL_Ref', 'KEGG_Ref') per Chem/Drugbox validation (← Previous edit |
Latest revision as of 07:16, 5 December 2023 edit undoMaterialscientist (talk | contribs)Edit filter managers, Autopatrolled, Checkusers, Administrators1,994,292 edits add |
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{{chembox |
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{{chembox |
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| Verifiedfields = changed |
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| verifiedrevid = 415521657 |
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| Watchedfields = changed |
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| verifiedrevid = 424699386 |
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| ImageFile = Ovalene.png |
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| ImageFile = Ovalene.png |
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| ImageName = Skeletal formula |
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| ImageAlt = Structural formula of ovalene |
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| ImageFile1 = Ovalene-3D-balls.png |
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| ImageFile1 = Ovalene 3D ball.png |
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| ImageName1 = Ball-and-stick model |
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| ImageAlt1 = Ball-and-stick model of the ovalene molecule |
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| PIN = Ovalene<ref name=iupac2013>{{cite book | title = Nomenclature of Organic Chemistry : IUPAC Recommendations and Preferred Names 2013 (Blue Book) | publisher = ] | date = 2014 | location = Cambridge | page = 205 | doi = 10.1039/9781849733069-FP001 | isbn = 978-0-85404-182-4}}</ref> |
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| IUPACName = Ovalene |
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| OtherNames = |
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| OtherNames = |
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| Section1 = {{Chembox Identifiers |
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|Section1={{Chembox Identifiers |
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| Abbreviations = |
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| Abbreviations = |
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| CASNo_Ref = {{cascite|correct|??}} |
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| CASNo = 190-26-1 |
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| CASNo = 190-26-1 |
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| UNII_Ref = {{fdacite|correct|FDA}} |
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| UNII = 3M1901484G |
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| EINECS = 205-880-1 |
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| EINECS = 205-880-1 |
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| PubChem = 10483367 |
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| PubChem = 67446 |
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| SMILES = c1cc2c3c4c1ccc5cc6c7c8c(ccc9=c8c1c(cc9)cc(c3c1c7c54)cc2)cc6 |
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| SMILES = c1cc2c3c4c1ccc5cc6c7c8c(ccc9=c8c1c(cc9)cc(c3c1c7c54)cc2)cc6 |
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| ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}} |
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| InChI = |
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| ChemSpiderID = 60771 |
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| RTECS = |
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| InChI = 1/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H |
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| MeSHName = |
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| InChIKey = LSQODMMMSXHVCN-UHFFFAOYAN |
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| ChEBI = |
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| StdInChI_Ref = {{stdinchicite|changed|chemspider}} |
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| StdInChI = 1S/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H |
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| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}} |
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| StdInChIKey = LSQODMMMSXHVCN-UHFFFAOYSA-N |
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| RTECS = |
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| MeSHName = |
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| ChEBI_Ref = {{ebicite|changed|EBI}} |
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| ChEBI = 33091 |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG_Ref = {{keggcite|correct|kegg}} |
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| KEGG = |
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| KEGG = |
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}} |
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| ATCCode_prefix = |
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|Section2={{Chembox Properties |
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| ATCCode_suffix = |
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| ATC_Supplemental =}} |
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| Section2 = {{Chembox Properties |
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| Formula = C<sub>32</sub>H<sub>14</sub> |
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| Formula = C<sub>32</sub>H<sub>14</sub> |
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| MolarMass = 398.45 g/mol |
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| MolarMass = 398.45 g/mol |
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| Appearance = |
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| Appearance = |
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| Density = |
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| Density = 1.496 g/cm<sup>3</sup><ref name=str/> |
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| MeltingPt = |
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| MeltingPtC = 473 |
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| MeltingPt_ref =<ref name=str/> |
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| Melting_notes = |
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| BoilingPt = |
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| BoilingPt = |
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| Boiling_notes = |
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| BoilingPt_notes = |
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| Solubility = |
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| Solubility = |
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| SolubleOther = |
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| SolubleOther = |
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| Solvent = |
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| Solvent = |
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| pKa = |
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| pKa = |
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| pKb = }} |
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| pKb = |
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| MagSus = -353.8·10<sup>−6</sup> cm<sup>3</sup>/mol<ref>{{cite journal|doi=10.1038/168520b0 |title=Electrical Conductivity and Magnetic Susceptibility of Ovalene |date=1951 |last1=Akamatu |first1=Hideo |last2=Inokuchi |first2=Hiroo |last3=Handa |first3=Takashi |journal=Nature |volume=168 |issue=4273 |pages=520–521 |bibcode=1951Natur.168..520A |s2cid=4172683 }}</ref> |
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| Section7 = {{Chembox Hazards |
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}} |
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| EUClass = |
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| Section3 = {{Chembox Structure |
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| EUIndex = |
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| Structure_ref =<ref name=str>{{cite journal|doi=10.1098/rspa.1953.0179 |title=The crystal and molecular structure of ovalene a quantitative X-ray investigation |journal=Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences |date=1953 |volume=220 |issue=1141 |pages=157–170 |bibcode=1953RSPSA.220..157D |last1=Donaldson |first1=D. M. |last2=Robertson |first2=J. M. |s2cid=98584903 }}</ref> |
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| CrystalStruct = |
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| SpaceGroup = ], P2<sub>1</sub>/a |
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| PointGroup = |
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| LattConst_a = 1.947(5) nm |
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| LattConst_b = 0.470(1) nm |
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| LattConst_c = 1.012(4) nm |
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| LattConst_alpha = |
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| LattConst_beta = 105.0(3) |
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| LattConst_gamma = |
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| LattConst_ref = |
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| LattConst_Comment = |
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| UnitCellVolume = |
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| UnitCellFormulas = 2 |
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| Coordination = |
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| MolShape = |
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| OrbitalHybridisation = |
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| Dipole = |
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}} |
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|Section7={{Chembox Hazards |
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| MainHazards = |
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| MainHazards = |
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| NFPA-H = |
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| NFPA-H = |
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| NFPA-F = |
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| NFPA-F = |
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| NFPA-R = |
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| NFPA-R = |
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| NFPA-O = |
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| NFPA-S = |
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| RPhrases = |
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| SPhrases = |
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| RSPhrases = |
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| FlashPt = |
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| FlashPt = |
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| Autoignition = |
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| AutoignitionPt = |
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| ExploLimits = |
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| ExploLimits = |
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| PEL = }} |
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| PEL = }} |
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==References== |
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==References== |
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{{Reflist}} |
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* {{cite book | last = Fetzer | first = J. C. | title = The Chemistry and Analysis of the Large Polycyclic Aromatic Hydrocarbons | location = New York | publisher = Wiley | year = 2000 }} |
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==External links== |
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==External links== |
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* at ] |
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* at ] |
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{{PAHs}} |
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{{PAHs}} |
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