Information card for entry 2212216

Structure parameters

• Chemical name: Methyl 4-p-tolyl-1H-pyrrole-2-carboxylate
• Formula: C13 H13 N O2
• Calculated formula: C13 H13 N O2
• Title of publication: Methyl 4-<i>p</i>-tolyl-1<i>H</i>-pyrrole-2-carboxylate
• Authors of publication: Michael G. Gardiner; Roderick C. Jones; Sarah Ng; Jason A. Smith
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o470 - o471
• a: 7.7119 ± 0.0015 Å
• b: 5.4554 ± 0.0011 Å
• c: 26.385 ± 0.005 Å
• α: 90°
• β: 94.61 ± 0.03°
• γ: 90°
• Cell volume: 1106.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes