Information card for entry 2200262

Structure parameters

• Chemical name: Methyl (4-formyl-2-methoxycarbonyl-1-pyrrolyl)acetate
• Formula: C10 H11 N O5
• Calculated formula: C10 H11 N O5
• SMILES: n1(cc(cc1C(=O)OC)C=O)CC(=O)OC
• Title of publication: Methyl (4-formyl-2-methoxycarbonylpyrrol-1-yl)acetate
• Authors of publication: Ján Lokaj; Viktor Kettmann; Viktor Milata; Jarmila Štetinová; Ognyan Petrov
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o404 - o405
• a: 5.101 ± 0.001 Å
• b: 20.098 ± 0.004 Å
• c: 10.461 ± 0.002 Å
• α: 90°
• β: 90.31 ± 0.03°
• γ: 90°
• Cell volume: 1072.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes