Information card for entry 2202855

Structure parameters

• Chemical name: 2-(Diphenylphosphinoyl)benzoic acid chloroform solvate
• Formula: C20 H16 Cl3 O3 P
• Calculated formula: C20 H16 Cl3 O3 P
• SMILES: c1(ccccc1C(=O)O)P(=O)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: 2-(Diphenylphosphinoyl)benzoic acid chloroform solvate
• Authors of publication: Burger, Sylvain; Therrien, Bruno; Süss-Fink, Georg
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1336 - o1338
• a: 8.6828 ± 0.0009 Å
• b: 13.385 ± 0.0014 Å
• c: 17.8678 ± 0.0018 Å
• α: 91.572 ± 0.012°
• β: 98.95 ± 0.012°
• γ: 104.045 ± 0.012°
• Cell volume: 1985.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes