Information card for entry 8106906

Structure parameters

• Formula: C16 H13 F N2 O2
• Calculated formula: C16 H13 F N2 O2
• Title of publication: Crystal structure of 2-amino-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H13FN2O2
• Authors of publication: Meng, Xian-Fang; Liu, Li-Zeng; Bai, Zheng-Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 455 - 456
• a: 13.2587 ± 0.0016 Å
• b: 10.8816 ± 0.0011 Å
• c: 19.75 ± 0.003 Å
• α: 90°
• β: 101.803 ± 0.012°
• γ: 90°
• Cell volume: 2789.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No