Information card for entry 8105857

Structure parameters

• Formula: C21 H15 F2 N3 O2
• Calculated formula: C21 H15 F2 N3 O2
• Title of publication: Crystal structure of methyl 2-(4-(3-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C21H15F2N3O2
• Authors of publication: Meng, Jiang Ping; Fang, Bo; Tan, Hong Bo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 805 - 807
• a: 7.389 ± 0.005 Å
• b: 14.011 ± 0.009 Å
• c: 16.733 ± 0.011 Å
• α: 96.568 ± 0.013°
• β: 100.432 ± 0.013°
• γ: 94.589 ± 0.013°
• Cell volume: 1683.5 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1596
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No