Information card for entry 8105751

Structure parameters

• Chemical name: 3-([1,1'-biphenyl]-2-yl)-1,2-diphenylbenzophosphole-1-oxide
• Formula: C32 H23 O P
• Calculated formula: C32 H23 O P
• SMILES: [P]1(=O)(c2ccccc2)c2c(C(=C1c1ccccc1)c1c(c3ccccc3)cccc1)cccc2
• Title of publication: The crystal structure of 3-([1,1′-biphenyl]-2-yl)-1,2-diphenylbenzo[b]phosphole-1-oxide, C32H23OP
• Authors of publication: Yuan, Chengxiong; Huang, Mingqing; Liu, Fen; Huang, Haiyang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 565 - 567
• a: 9.1869 ± 0.0011 Å
• b: 27.94 ± 0.003 Å
• c: 9.6992 ± 0.0011 Å
• α: 90°
• β: 107.422 ± 0.002°
• γ: 90°
• Cell volume: 2375.4 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0675
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No