Information card for entry 4025456

Structure parameters

• Formula: C16 H24 N O2 P
• Calculated formula: C16 H24 N O2 P
• SMILES: c1(ccccc1)[P@](=O)(N)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C
• Title of publication: Stereospecific Coupling of H-Phosphinates and Secondary Phosphine Oxides with Amines and Alcohols: A General Method for the Preparation of Optically Active Organophosphorus Acid Derivatives
• Authors of publication: Gang Wang; Ruwei Shen; Qing Xu; Midori Goto; Yufen Zhao; Li-Biao Han
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3890 - 3892
• a: 8.614 ± 0.001 Å
• b: 5.7613 ± 0.0007 Å
• c: 16.5693 ± 0.0019 Å
• α: 90°
• β: 93.186 ± 0.002°
• γ: 90°
• Cell volume: 821.03 ± 0.17 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No