Information card for entry 2215569

Structure parameters

• Chemical name: 3,4-Bis(4-bromophenyl)-2,5-diphenylcyclopenta-2,4-dienone
• Formula: C29 H18 Br2 O
• Calculated formula: C29 H18 Br2 O
• SMILES: O=C1C(=C(C(=C1c1ccccc1)c1ccc(Br)cc1)c1ccc(Br)cc1)c1ccccc1
• Title of publication: 3,4-Bis(4-bromophenyl)-2,5-diphenylcyclopenta-2,4-dienone
• Authors of publication: Schwarzer, Anke; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3966 - o3966
• a: 10.0677 ± 0.0004 Å
• b: 9.6526 ± 0.0004 Å
• c: 23.6791 ± 0.0009 Å
• α: 90°
• β: 99.193 ± 0.002°
• γ: 90°
• Cell volume: 2271.57 ± 0.16 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes