Information card for entry 1515755

Structure parameters

• Formula: C23 H29 B N O2 P
• Calculated formula: C23 H29 B N O2 P
• SMILES: [P@@]([BH3])(N([C@@H]([C@@H](O)c1ccccc1)C)C)(c1ccccc1)c1ccccc1CO
• Title of publication: Efficient Asymmetric Syntheses of 1-Phenyl-phosphindane, Derivatives, and 2- or 3-Oxa Analogues: Mission Accomplished.
• Authors of publication: Rast, Slavko; Mohar, Barbara; Stephan, Michel
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 2688 - 2691
• a: 9.164 ± 0.0016 Å
• b: 14.0102 ± 0.0017 Å
• c: 9.5202 ± 0.0018 Å
• α: 90°
• β: 117.23 ± 0.02°
• γ: 90°
• Cell volume: 1086.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No