Information card for entry 2212509

Structure parameters

• Chemical name: 4-(Bromomethyl)benzophenone
• Formula: C14 H11 Br O
• Calculated formula: C14 H11 Br O
• SMILES: c1ccc(cc1)C(=O)c1ccc(cc1)CBr
• Title of publication: 4-(Bromomethyl)benzophenone
• Authors of publication: Xu, Wei-Jian; Zang, Yang-Ling; Wu, Guo-Liang; Su, Sheng-Pei; Qiu, De-Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1188 - o1189
• a: 7.6148 ± 0.0005 Å
• b: 11.3885 ± 0.0007 Å
• c: 13.7659 ± 0.0008 Å
• α: 90°
• β: 101.983 ± 0.002°
• γ: 90°
• Cell volume: 1167.78 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes