Information card for entry 4022502

Structure parameters

• Formula: C8 H20 N O6 P
• Calculated formula: C8 H20 N O6 P
• SMILES: P(=O)(O)([O-])C[C@@H]([C@H]([NH3+])C(=O)O)CC(C)C.O.O
• Title of publication: Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Conjugate Addition of Lithiated Schöllkopf's Bislactim Ethers to Vinylphosphonates
• Authors of publication: María Ruiz; M. Carmen Fernández; Aniana Díaz; José M. Quintela; Vicente Ojea
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 7634 - 7645
• a: 8.0033 ± 0.0014 Å
• b: 11.559 ± 0.003 Å
• c: 26.542 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2455.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No