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Information card for entry 8106121
Preview
Coordinates | 8106121.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H17 F N2 O2 |
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Calculated formula | C19 H17 F N2 O2 |
Title of publication | Crystal structure of ethyl 1-(4-fluorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate, C19H17FN2O2 |
Authors of publication | Tong, Sheng-Yue; You, Jin-Zong; Zhang, Yi-Ping; Wang, Zhen-Zhen; Yu, Ke-Ji; Hu, Qiong; Pan, Hui-Juan; Wu, Cheng-Jie; Qi, De-Qiang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2018 |
Journal volume | 233 |
Journal issue | 2 |
Pages of publication | 269 - 270 |
a | 7.8593 ± 0.0019 Å |
b | 10.3322 ± 0.0018 Å |
c | 10.9747 ± 0.0019 Å |
α | 108.914 ± 0.018° |
β | 92.931 ± 0.003° |
γ | 99.544 ± 0.003° |
Cell volume | 826.1 ± 0.3 Å3 |
Cell temperature | 296.15 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 | 0.0575 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/8106121.html
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