Information card for entry 8106345

Structure parameters

• Formula: C19 H11 F N2 O3
• Calculated formula: C19 H11 F N2 O3
• Title of publication: Crystal structure of 2-amino-4-(4-fluorophenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2c] chromene, C19H11FN2O3
• Authors of publication: He, Lian-Man; Gao, Chuan-Yu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 915 - 916
• a: 8.8312 ± 0.0005 Å
• b: 12.9378 ± 0.0009 Å
• c: 13.1531 ± 0.0008 Å
• α: 90°
• β: 93.022 ± 0.005°
• γ: 90°
• Cell volume: 1500.73 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.059
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No