Information card for entry 2201020

Structure parameters

• Chemical name: benzylphenylphosphine oxide
• Formula: C13 H13 O P
• Calculated formula: C13 H13 O P
• SMILES: P(=O)(Cc1ccccc1)c1ccccc1
• Title of publication: Racemic benzylphenylphosphine oxide
• Authors of publication: Kruszynski, Rafal; Wieczorek, Wanda; Pietrusiewicz, K. Michał
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o390 - o392
• a: 12.817 ± 0.002 Å
• b: 5.713 ± 0.001 Å
• c: 8.074 ± 0.003 Å
• α: 90°
• β: 106.15 ± 0.03°
• γ: 90°
• Cell volume: 567.9 ± 0.3 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes