Information card for entry 7155448

Structure parameters

• Formula: C10 H13 N O7
• Calculated formula: C10 H13 N O7
• SMILES: [C@H]1(COC(=O)N1C(=O)C)[C@H](C(=O)OC)OC(=O)C
• Title of publication: Studies on cyclization reactions of 3-amino-2,4-dihydroxybutanoic acid derivatives.
• Authors of publication: Esgulian, Mathieu; Belot, Vincent; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1453 - 1462
• a: 6.0454 ± 0.0006 Å
• b: 14.0347 ± 0.0014 Å
• c: 7.1416 ± 0.0008 Å
• α: 90°
• β: 101.033 ± 0.003°
• γ: 90°
• Cell volume: 594.73 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1675
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for significantly intense reflections: 0.2694
• Weighted residual factors for all reflections included in the refinement: 0.3029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No