Information card for entry 7203755

Structure parameters

• Common name: ca.02.b33.1
• Formula: C24 H21 O6 P
• Calculated formula: C24 H21 O6 P
• SMILES: c1(ccc(cc1)OC(=O)C)P(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C
• Title of publication: Solubility of several analogues of triphenylphosphine in carbon dioxide
• Authors of publication: Ablan, Christopher D.; Sheppard, Daniel; Beckman, Eric J.; Olmstead, Marilyn M.; Jessop, Philip G.
• Journal of publication: Green Chemistry
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 590
• a: 19.1098 ± 0.0008 Å
• b: 19.1098 ± 0.0008 Å
• c: 10.2052 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3227.5 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No