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Information card for entry 8106823
Preview
Coordinates | 8106823.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H23 N5 O4 |
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Calculated formula | C25 H23 N5 O4 |
Title of publication | Crystal structure of 5-(4-pyridyl)pyrimidine–4,4′-bipyridine–1,3,5-benzenetriol–water (1:1:1:1), C25H23N5O4 |
Authors of publication | Xu, Wen-Jun; Qi, De-Qiang; You, Jin-Zong; Wang, Xue-Jie; Zhang, Yi-Ping; Hu, Fei-Fei; Bian, Jia-Ying; Yang, Chun-Xia; Huang, Juan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 1 |
Pages of publication | 195 - 197 |
a | 8.157 ± 0.002 Å |
b | 9.262 ± 0.002 Å |
c | 15.465 ± 0.004 Å |
α | 87.887 ± 0.004° |
β | 89.803 ± 0.004° |
γ | 72.727 ± 0.004° |
Cell volume | 1114.9 ± 0.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1177 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.1653 |
Weighted residual factors for all reflections included in the refinement | 0.184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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