Information card for entry 2235766

Structure parameters

• Chemical name: (<i>R</i>*)-Methyl 2-(2,6-dimethoxy-3,5-dinitrobenzamido)propanoate
• Formula: C13 H15 N3 O9
• Calculated formula: C13 H15 N3 O9
• SMILES: c1c(c(c(c(c1N(=O)=O)OC)C(=O)N[C@H](C(=O)OC)C)OC)N(=O)=O
• Title of publication: (<i>R</i>*)-Methyl 2-(2,6-dimethoxy-3,5-dinitrobenzamido)propanoate
• Authors of publication: Li, Xiaofei; Tong, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2386
• a: 4.6933 ± 0.001 Å
• b: 17.501 ± 0.003 Å
• c: 19.917 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1635.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes