Information card for entry 8107110

Structure parameters

• Formula: C18 H16 F2 N2 O2
• Calculated formula: C18 H16 F2 N2 O2
• Title of publication: Crystal structure of 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16F2N2O2
• Authors of publication: Lou, He
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1091 - 1092
• a: 11.619 ± 0.003 Å
• b: 9.481 ± 0.002 Å
• c: 14.555 ± 0.003 Å
• α: 90°
• β: 98.799 ± 0.004°
• γ: 90°
• Cell volume: 1584.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No