Information card for entry 2226329

Structure parameters

• Chemical name: 4-Hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one
• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• SMILES: O=C1CC(C(=C1C)c1ccccc1)(O)c1ccccc1
• Title of publication: 4-Hydroxy-2-methyl-3,4-diphenylcyclopent-2-en-1-one
• Authors of publication: Raza, Abdul Rauf; Sultan, Aeysha; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1465
• a: 12.5098 ± 0.0004 Å
• b: 13.1453 ± 0.0005 Å
• c: 17.5292 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2882.59 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes