Information card for entry 2201112

Structure parameters

• Chemical name: (R)-2,2'-bis[bis(3,5-dimethylphenyl)phosphinoamino]- 5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl
• Formula: C52 H58 N2 P2
• Calculated formula: C52 H58 N2 P2
• SMILES: P(Nc1ccc2CCCCc2c1c1c(NP(c2cc(cc(c2)C)C)c2cc(cc(c2)C)C)ccc2CCCCc12)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: (<i>R</i>)-2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoamino]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl
• Authors of publication: Guo, Rongwei; Ao-Yueng, Terry T. L.; Choi, Michael C. K.; Zhou, Zhongyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o544 - o545
• a: 10.1595 ± 0.0012 Å
• b: 19.961 ± 0.002 Å
• c: 22.36 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4534.5 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2161
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes