Information card for entry 2011422

Structure parameters

• Chemical name: benzyl 2-carboxy-3-ethyl-4-methylpyrrole-5-carboxylate
• Formula: C16 H17 N O4
• Calculated formula: C16 H17 N O4
• Title of publication: Benzyl 5-carboxy-4-ethyl-3-methylpyrrole-2-carboxylate
• Authors of publication: Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rocha Gonsalves, A. M. d'A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1263 - 1264
• a: 22.195 ± 0.006 Å
• b: 5.2607 ± 0.0013 Å
• c: 25.413 ± 0.003 Å
• α: 90°
• β: 98.938 ± 0.015°
• γ: 90°
• Cell volume: 2931.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes