Information card for entry 8104666

Structure parameters

• Formula: C19 H16 F N O2
• Calculated formula: C19 H16 F N O2
• Title of publication: Crystal structure of ethyl 1-(4-fluorophenyl)-4-phenyl-1H-pyrrole-3-carboxylate, C19H16FNO2
• Authors of publication: Song, Hong-Yu; Liu, Shan; Zhang, Bo-Nan; Zhong, Qi-Di; Qi, Ya-Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1063 - 1064
• a: 10.805 ± 0.007 Å
• b: 20.984 ± 0.013 Å
• c: 7.034 ± 0.004 Å
• α: 90°
• β: 93.386 ± 0.013°
• γ: 90°
• Cell volume: 1592 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No