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Information card for entry 8106534
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Coordinates | 8106534.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H18 N2 O2 |
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Calculated formula | C19 H18 N2 O2 |
Title of publication | Crystal structure of ethyl 1-benzyl-5-phenyl-1H-pyrazole-3-carboxylate, C19H18N2O2 |
Authors of publication | Xu, Wen-Chang; You, Jin-Zong; Feng, Qi; Zhang, Yi-Ping; Ni, Wan-Min; Huang, Xu-Wen; Li, Tang-Qi; Tong, Sheng-Yue; Qi, De-Qiang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 3 |
Pages of publication | 353 - 355 |
a | 9.8324 ± 0.0019 Å |
b | 10.59 ± 0.002 Å |
c | 17.794 ± 0.003 Å |
α | 77.08 ± 0.003° |
β | 81.72 ± 0.004° |
γ | 64.958 ± 0.003° |
Cell volume | 1633.6 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1136 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1625 |
Weighted residual factors for all reflections included in the refinement | 0.1964 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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