Information card for entry 2201111

Structure parameters

• Chemical name: (S)-2,2'-bis(dicyclohexylphosphinoamino)-1,1'-binaphthyl
• Formula: C44 H58 N2 P2
• Calculated formula: C44 H58 N2 P2
• SMILES: P(Nc1c(c2c(NP(C3CCCCC3)C3CCCCC3)ccc3ccccc23)c2ccccc2cc1)(C1CCCCC1)C1CCCCC1
• Title of publication: (<i>S</i>)-2,2'-Bis(dicyclohexylphosphinoamino)-1,1'-binaphthyl
• Authors of publication: Guo, Rongwei; Wang, Lailai; Wu, Jing; Choi, Michael C. K.; Zhou, Zhongyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: o598 - o599
• a: 10.316 ± 0.003 Å
• b: 16.988 ± 0.005 Å
• c: 11.635 ± 0.003 Å
• α: 90°
• β: 97.971 ± 0.007°
• γ: 90°
• Cell volume: 2019.3 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes