Information card for entry 7153161

Structure parameters

• Chemical name: Methyl (2S)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate
• Formula: C18 H19 O6 P
• Calculated formula: C18 H19 O6 P
• SMILES: P1(=O)(O[C@H](C[C@@H](O1)c1ccccc1)c1ccccc1)[C@H](O)C(=O)OC
• Title of publication: Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.
• Authors of publication: Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 42
• Pages of publication: 7420 - 7426
• a: 9.7943 ± 0.0004 Å
• b: 10.0856 ± 0.0004 Å
• c: 17.1604 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1695.13 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No