Information card for entry 2231584

Structure parameters

• Chemical name: (<i>Z</i>)-(1,2-Dichlorovinyl)diphenylphosphine oxide
• Formula: C14 H11 Cl2 O P
• Calculated formula: C14 H11 Cl2 O P
• SMILES: Cl/C(=C\Cl)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: (<i>Z</i>)-(1,2-Dichlorovinyl)diphenylphosphine oxide
• Authors of publication: Ma, Jing-Ya; Feng, Qing-Qin; Wu, Ming-Shu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2267
• a: 12.0621 ± 0.0011 Å
• b: 7.9521 ± 0.0008 Å
• c: 14.9913 ± 0.0015 Å
• α: 90°
• β: 102.858 ± 0.001°
• γ: 90°
• Cell volume: 1401.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes