Information card for entry 8107415

Structure parameters

• Chemical name: 2-(2-bromophenyl)-4-phenylbenzo[<i>b</i>][1,4]oxaphosphinine 4-oxide
• Formula: C20 H14 Br O2 P
• Calculated formula: C20 H14 Br O2 P
• Title of publication: The crystal structure of 2-(2-bromophenyl)-4-phenylbenzo[b][1,4]oxaphosphinine 4-oxide, C20H14BrO2P
• Authors of publication: Xu, Xiaozhen; Xu, Na; Ma, Shengtao; Wu, Xinan; Zhang, Junling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 273 - 275
• a: 11.9837 ± 0.0014 Å
• b: 9.9901 ± 0.0012 Å
• c: 14.3621 ± 0.0018 Å
• α: 90°
• β: 94.873 ± 0.002°
• γ: 90°
• Cell volume: 1713.2 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0942
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No