Information card for entry 2233822

Structure parameters

• Common name: (6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) dioxide dihydrate
• Chemical name: (6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate
• Formula: C38 H36 O6 P2
• Calculated formula: C38 H36 O6 P2
• SMILES: P(=O)(c1c(c(OC)ccc1)c1c(P(=O)(c2ccccc2)c2ccccc2)cccc1OC)(c1ccccc1)c1ccccc1.O.O
• Title of publication: (6,6'-Dimethoxybiphenyl-2,2'-diyl)bis(diphenylphosphane) <i>P</i>,<i>P</i>'-dioxide dihydrate
• Authors of publication: Dai, Dongmei; Tang, Lin; Gong, Yanqing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o804
• a: 13.108 ± 0.003 Å
• b: 15.65 ± 0.003 Å
• c: 33.967 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6968 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes