Information card for entry 2202644

Structure parameters

• Formula: C11 H11 N O5
• Calculated formula: C11 H11 N O5
• SMILES: C(OC(=O)NC(=O)C(=O)OC)c1ccccc1
• Title of publication: Methyl <i>N</i>-(benzyloxycarbonyl)oxamate
• Authors of publication: Marx, Raimund; Glaser, Steffen; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1425 - o1426
• a: 8.0139 ± 0.0008 Å
• b: 5.4828 ± 0.0005 Å
• c: 24.701 ± 0.003 Å
• α: 90°
• β: 95.446 ± 0.002°
• γ: 90°
• Cell volume: 1080.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes