Information card for entry 2200952

Structure parameters

• Chemical name: 2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoyl]-5,5',6,6',7,7',8,8'-Octahydro -1,1'-Binaphthyl
• Formula: C52 H56 O2 P2
• Calculated formula: C52 H56 O2 P2
• SMILES: Cc1cc(C)cc(c1)P(c1cc(C)cc(c1)C)Oc1ccc2c(c1c1c(ccc3c1CCCC3)OP(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)CCCC2
• Title of publication: (<i>S</i>)-2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl
• Authors of publication: Guo, Rongwei; Wu, Jing; Kowk, Waihim; Chen, Jian; Choi, Michael C. K.; Zhou, Zhongyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o270 - o271
• a: 13.1983 ± 0.0018 Å
• b: 19.015 ± 0.003 Å
• c: 8.8486 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2220.7 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No