Information card for entry 8106433

Structure parameters

• Formula: C21 H19 N O3
• Calculated formula: C21 H19 N O3
• Title of publication: Crystal structure of methyl-2-methyl-4-(2-oxo-2-phenylethyl)-5-phenyl-1H-pyrrole-3-carboxylate, C21H19NO3
• Authors of publication: Naganagowda, Gadada; Mahlaka, Thabo Joel; Meijboom, Reinout
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 63 - 65
• a: 10.137 ± 0.002 Å
• b: 12.3205 ± 0.0018 Å
• c: 14.7 ± 0.003 Å
• α: 90°
• β: 106.432 ± 0.001°
• γ: 90°
• Cell volume: 1760.9 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No