Information card for entry 1542451

Structure parameters

• Formula: C26 H20 Cl O P
• Calculated formula: C26 H20 Cl O P
• SMILES: c1cc(ccc1C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Crystal Structure of 4'-Chlorobenzoylmethylenetriphenylphosphorane ylide, C~26~H~20~Cl~O~P
• Authors of publication: Sabounchei, Seyyed Javad; Nemattalab, Hassan; Khavasi, Hamid Reza
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 35 - 36
• a: 16.6184 ± 0.0009 Å
• b: 10.9196 ± 0.0006 Å
• c: 23.5465 ± 0.0012 Å
• α: 90°
• β: 100.366 ± 0.004°
• γ: 90°
• Cell volume: 4203.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No