Information card for entry 2000249

Structure parameters

• Formula: C25 H19 Cl O
• Calculated formula: C25 H19 Cl O
• SMILES: Cc1c(O)c(c2ccccc2)c(c(c1Cl)c1ccccc1)c1ccccc1
• Title of publication: 6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol
• Authors of publication: Barnes, J. C.; Horspool, W. M.; Mackie, F. I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 1881 - 1885
• a: 12.211 ± 0.008 Å
• b: 26.5 ± 0.02 Å
• c: 12.477 ± 0.009 Å
• α: 90°
• β: 99.12 ± 0.01°
• γ: 90°
• Cell volume: 3986 ± 5 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No