Information card for entry 4106419

Structure parameters

• Formula: C20 H27 O2 P
• Calculated formula: C20 H27 O2 P
• SMILES: [C@H]1(C[C@@H](CC[C@H]1C(C)C)C)O[P@@H](=O)c1cccc2ccccc12
• Title of publication: Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates
• Authors of publication: David Gatineau; Laurent Giordano; Gérard Buono
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10728 - 10731
• a: 9.5513 ± 0.0002 Å
• b: 9.6961 ± 0.0002 Å
• c: 20.0734 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1859 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1063
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No