Information card for entry 2200811

Structure parameters

• Chemical name: Methyl 5-methyl-3,4-diphenyl-1H-pyrrole-2-carboxylate
• Formula: C19 H17 N O2
• Calculated formula: C19 H17 N O2
• SMILES: Cc1c(c(c(C(=O)OC)[nH]1)c1ccccc1)c1ccccc1
• Title of publication: Methyl 5-methyl-3,4-diphenyl-1<i>H</i>-pyrrole-2-carboxylate
• Authors of publication: Light, Mark E.; Camiolo, Salvatore; Gale, Philip A.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1245 - o1246
• a: 34.1913 ± 0.0012 Å
• b: 10.7042 ± 0.0004 Å
• c: 19.1129 ± 0.0009 Å
• α: 90°
• β: 118.186 ± 0.002°
• γ: 90°
• Cell volume: 6165.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.128
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes