Information card for entry 4021944

Structure parameters

• Formula: C4 H9 F N O3 P
• Calculated formula: C4 H9 F N O3 P
• SMILES: P1(=O)(OC[C@@H]([NH3+])C[C@H]1F)[O-]
• Title of publication: Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]
• Authors of publication: María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6958 - 6974
• a: 6.7943 ± 0.0013 Å
• b: 8.718 ± 0.003 Å
• c: 11.059 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 655.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0258
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.0627
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No