Information card for entry 1502619

Structure parameters

• Formula: C15 H22 N O3 P
• Calculated formula: C15 H22 N O3 P
• SMILES: [P@@](=O)(N1[C@H](C(OC1=O)(C)C)C(C)C)(c1ccccc1)C
• Title of publication: Enantioselective preparation of P-chiral phosphine oxides.
• Authors of publication: Adams, Harry; Collins, Rebecca C.; Jones, Simon; Warner, Christopher J. A.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6576 - 6579
• a: 9.4722 ± 0.0002 Å
• b: 10.0791 ± 0.0002 Å
• c: 16.3227 ± 0.0005 Å
• α: 90°
• β: 92.756 ± 0.002°
• γ: 90°
• Cell volume: 1556.55 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No