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Information card for entry 7229283
Preview
Coordinates | 7229283.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H15 Cl N2 O2 |
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Calculated formula | C23 H15 Cl N2 O2 |
SMILES | c1ccccc1c1c(cn(C(=O)c2ccc(cc2)Cl)n1)C(=O)c1ccccc1 |
Title of publication | Design, synthesis, and herbicidal activity of pyrazole benzophenone derivatives |
Authors of publication | Fu, Ying; Wang, Meng-Xia; Zhang, Dong; Hou, Yu-Wen; Gao, Shuang; Zhao, Li-Xia; Ye, Fei |
Journal of publication | RSC Adv. |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 74 |
Pages of publication | 46858 |
a | 8.1098 ± 0.0006 Å |
b | 10.3956 ± 0.001 Å |
c | 11.5 ± 0.0016 Å |
α | 88.824 ± 0.01° |
β | 77.369 ± 0.01° |
γ | 87.304 ± 0.007° |
Cell volume | 944.96 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1406 |
Residual factor for significantly intense reflections | 0.1277 |
Weighted residual factors for significantly intense reflections | 0.3374 |
Weighted residual factors for all reflections included in the refinement | 0.3431 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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