Information card for entry 8105784

Structure parameters

• Formula: C19 H17 N5 O2
• Calculated formula: C19 H17 N5 O2
• Title of publication: Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2
• Authors of publication: Fang, Bo; Meng, Jiang Ping; Gan, Lin Ling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 575 - 577
• a: 14.734 ± 0.006 Å
• b: 13.565 ± 0.005 Å
• c: 33.385 ± 0.012 Å
• α: 90°
• β: 91.311 ± 0.009°
• γ: 90°
• Cell volume: 6671 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.162
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No