Information card for entry 2237444

Structure parameters

• Common name: α-acetyl-α-parachlorobenzoylmethylenetris(<i>p</i>-tolyl)phosphorane
• Chemical name: 1-(4-Chlorophenyl)-2-[tris(4-methylphenyl)-λ^5^-phosphanylidene]butane- 1,3-dione
• Formula: C31 H28 Cl O2 P
• Calculated formula: C31 H28 Cl O2 P
• SMILES: Clc1ccc(C(=O)C(=P(c2ccc(cc2)C)(c2ccc(cc2)C)c2ccc(cc2)C)C(=O)C)cc1
• Title of publication: 1-(4-Chlorophenyl)-2-[tris(4-methylphenyl)-λ^5^-phosphanylidene]butane-1,3-dione
• Authors of publication: Sabounchei, Seyyed Javad; Shahriary, Parisa; Hosseini Fashami, Faegheh; Morales-Morales, David; Hernandez-Ortega, Simon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o183
• a: 20.327 ± 0.002 Å
• b: 14.756 ± 0.0015 Å
• c: 18.9759 ± 0.0019 Å
• α: 90°
• β: 113.14 ± 0.002°
• γ: 90°
• Cell volume: 5233.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes