Information card for entry 1542663

Structure parameters

• Formula: C30 H28 N O3 P
• Calculated formula: C30 H28 N O3 P
• SMILES: P(=O)(N1[C@@](c2ccccc2)(C(=O)OCC)[C@@H]1c1ccc(cc1)C)(c1ccccc1)c1ccccc1.P(=O)(N1[C@](c2ccccc2)(C(=O)OCC)[C@H]1c1ccc(cc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Diethyl Phosphite Initiated Coupling of α-Ketoesters with Imines for Synthesis of α-Phosphonyloxy-β-amino Acid Derivatives and Aziridine-2-carboxylates.
• Authors of publication: Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 880 - 883
• a: 8.675 ± 0.008 Å
• b: 19.74 ± 0.018 Å
• c: 15.454 ± 0.012 Å
• α: 90°
• β: 106.49 ± 0.04°
• γ: 90°
• Cell volume: 2538 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No