Information card for entry 2238627

Structure parameters

• Chemical name: Methyl 4-(trifluoromethyl)-1<i>H</i>-pyrrole-3-carboxylate
• Formula: C7 H6 F3 N O2
• Calculated formula: C7 H6 F3 N O2
• Title of publication: Methyl 4-(trifluoromethyl)-1<i>H</i>-pyrrole-3-carboxylate
• Authors of publication: Suchetan, P. A.; Sreenivasa, S.; Palakshamurthy, B. S.; ManojKumar, K. E.; Madan Kumar, S.; Lokanath, N. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1566
• a: 16.643 ± 0.002 Å
• b: 7.1118 ± 0.001 Å
• c: 6.9618 ± 0.0011 Å
• α: 90°
• β: 98.903 ± 0.007°
• γ: 90°
• Cell volume: 814.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No