Information card for entry 8107111

Structure parameters

• Formula: C16 H11 F3 N2 O2
• Calculated formula: C16 H11 F3 N2 O2
• Title of publication: Crystal structure of 2-amino-4-(3,4,5-trifluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H11F3N2O2
• Authors of publication: Zhang, Xi-Ping; Yu, Fei-Jiang; He, Xiang-Ming; Zou, De-Hong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1093 - 1094
• a: 8.3288 ± 0.0005 Å
• b: 8.6385 ± 0.0008 Å
• c: 11.6004 ± 0.0008 Å
• α: 111.488 ± 0.007°
• β: 94.705 ± 0.006°
• γ: 99.107 ± 0.006°
• Cell volume: 757.87 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.568
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No