Information card for entry 2003765

Structure parameters

• Formula: C32 H30 O2
• Calculated formula: C32 H30 O2
• SMILES: O=C(C[C@@H](c1ccc(cc1)C)[C@H](c1ccc(cc1)C)CC(=O)c1ccccc1)c1ccccc1.O=C(C[C@H](c1ccc(cc1)C)[C@@H](c1ccc(cc1)C)CC(=O)c1ccccc1)c1ccccc1
• Title of publication: (±)-3,4-Bis(4-methylphenyl)-1,6-diphenyl-1,6-hexanedione
• Authors of publication: Chen, C.-F.; Xu, J.-H.; Zhu, Y.; Liu, Y.-C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1712 - 1714
• a: 11.011 ± 0.002 Å
• b: 11.395 ± 0.002 Å
• c: 11.491 ± 0.002 Å
• α: 114.5 ± 0.2°
• β: 101.8 ± 0.1°
• γ: 93.3 ± 0.2°
• Cell volume: 1268 ± 2 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 0.854
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No