Information card for entry 2212165

Structure parameters

• Common name: 3-Benzoyl-2,4-bis(3-bromophenyl)cyclobutyl phenyl ketone
• Chemical name: [3-Benzoyl-2,4-bis(3-bromophenyl)cyclobutyl](phenyl)methanone
• Formula: C30 H22 Br2 O2
• Calculated formula: C30 H22 Br2 O2
• SMILES: Brc1cccc(c1)[C@@H]1[C@H]([C@H]([C@@H]1C(=O)c1ccccc1)c1cccc(c1)Br)C(=O)c1ccccc1
• Title of publication: [3-Benzoyl-2,4-bis(3-bromophenyl)cyclobutyl](phenyl)methanone
• Authors of publication: Hoong-Kun Fun; Suchada Chantrapromma; Shyamaprosad Goswami; Subrata Jana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1069 - o1070
• a: 5.7813 ± 0.0001 Å
• b: 14.6794 ± 0.0002 Å
• c: 14.2828 ± 0.0002 Å
• α: 90°
• β: 102.988 ± 0.001°
• γ: 90°
• Cell volume: 1181.11 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes