Information card for entry 2212382

Structure parameters

• Chemical name: 3-(4-bromophenyl)cyclobutanone
• Formula: C10 H9 Br O
• Calculated formula: C10 H9 Br O
• SMILES: Brc1ccc(cc1)C1CC(=O)C1
• Title of publication: 3-(4-Bromophenyl)cyclobutanone
• Authors of publication: Jem-Mau Lo; Mei-Hsun Chen; Jack Cheng; Chun-Yu Chen; Tian-Huey Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o656 - o657
• a: 5.4751 ± 0.0009 Å
• b: 9.4755 ± 0.0014 Å
• c: 17.885 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 927.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes