Information card for entry 1507417

Structure parameters

• Formula: C31 H22 N P
• Calculated formula: C31 H22 N P
• SMILES: P(c1c(c2nccc3c2cccc3)c2ccccc2cc1)(c1ccccc1)c1ccccc1
• Title of publication: Practical Preparation and Resolution of 1-(2‘-Diphenylphosphino-1‘-naphthyl)isoquinoline: A Useful Ligand for Catalytic Asymmetric Synthesis
• Authors of publication: Lim, Chung Woo; Tissot, Olivier; Mattison, Andrew; Hooper, Mark W.; Brown, John M.; Cowley, Andrew R.; Hulmes, David I.; Blacker, A. John
• Journal of publication: Organic Process Research & Development
• Year of publication: 2003
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 379
• a: 9.3582 ± 0.0003 Å
• b: 11.2325 ± 0.0003 Å
• c: 11.0655 ± 0.0004 Å
• α: 90°
• β: 94.2238 ± 0.0012°
• γ: 90°
• Cell volume: 1160 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0327
• Weighted residual factors for all reflections included in the refinement: 0.0331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0648
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No