Information card for entry 4074905

Structure parameters

• Formula: C10 H24 B P
• Calculated formula: C10 H24 B P
• SMILES: [PH2]([BH3])[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: Chirality Breeding via Asymmetric Phosphination. Palladium-Catalyzed Diastereoselective Synthesis of a P-Stereogenic Phosphine
• Authors of publication: Blank, Natalia F.; McBroom, Katherine C.; Glueck, David S.; Kassel, W. Scott; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1742
• a: 8.1069 ± 0.0006 Å
• b: 10.563 ± 0.0008 Å
• c: 14.6777 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1256.9 ± 0.16 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No