Information card for entry 2005614

Structure parameters

• Chemical name: cis-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-en-1-one
• Formula: C29 H22 O3
• Calculated formula: C29 H22 O3
• SMILES: O=C1C(=C([C@](O)([C@@]1(O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O=C1C(=C([C@@](O)([C@]1(O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: <i>cis</i>-4,5-Dihydroxy-2,3,4,5-tetraphenylcyclopent-2-enone
• Authors of publication: Jedrzejas, M. J.; Rubin, M. D.; Baker, R. J.; Masnovi, J.; Towns, R. L. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2936 - 2939
• a: 24.856 ± 0.005 Å
• b: 22.041 ± 0.005 Å
• c: 7.921 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4340 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for all reflections: 0.99
• Goodness-of-fit parameter for significantly intense reflections: 0.99
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No