Information card for entry 7204372

Structure parameters

• Formula: C33 H34 N O3 P
• Calculated formula: C33 H34 N O3 P
• SMILES: P(=O)([C@@H]([C@H](NC(=O)c1ccccc1)c1ccccc1)C1(O)CCCCC1)(c1ccccc1)c1ccccc1.P(=O)([C@H]([C@@H](NC(=O)c1ccccc1)c1ccccc1)C1(O)CCCCC1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, X-ray crystal structures and Horner‒Wittig addition reactions of some protected β-aminophosphine oxides
• Authors of publication: Feeder, Neil; Fox, David J.; Medlock, Jonathan A.; Warren, Stuart
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1175
• a: 15.1746 ± 0.0007 Å
• b: 10.3826 ± 0.0005 Å
• c: 17.345 ± 0.0009 Å
• α: 90°
• β: 93.82 ± 0.003°
• γ: 90°
• Cell volume: 2726.7 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.1451
• Weighted residual factors for significantly intense reflections: 0.1083
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No