Information card for entry 8104662

Structure parameters

• Formula: C19 H25 N5 O
• Calculated formula: C19 H25 N5 O
• Title of publication: The crystal structure of 13-(pyrazole-1-yl-4-carbonitrile)-matrine, C19H25N5O
• Authors of publication: Li, Jun-Jie; Dong, Fang-Yun; Zou, Qi-Wen; Feng, Yin; Yang, Yu-Tao; Su, Kai-Xuan; Huang, Yong-Fu; Jiang, Xu-Hong; Cheng, Xing-An
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1047 - 1049
• a: 16.06 ± 0.0002 Å
• b: 5.3992 ± 0.0001 Å
• c: 19.8514 ± 0.0002 Å
• α: 90°
• β: 94.26 ± 0.001°
• γ: 90°
• Cell volume: 1716.58 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No