Information card for entry 2204669

Structure parameters

• Formula: C21 H17 O P
• Calculated formula: C21 H17 O P
• SMILES: P(=O)(C(=C=C)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [1-(Diphenylphosphinoyl)propa-1,2-dienyl]benzene
• Authors of publication: Wei-Ming Xu; Xiu-Rong Hu; Jian-Ming Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2214 - o2215
• a: 9.556 ± 0.0003 Å
• b: 15.4559 ± 0.0005 Å
• c: 12.0143 ± 0.0003 Å
• α: 90°
• β: 108.904 ± 0.002°
• γ: 90°
• Cell volume: 1678.76 ± 0.09 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes