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Information card for entry 7227706
Preview
Coordinates | 7227706.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | YG-98 |
---|---|
Formula | C21 H17 Br N2 O3 |
Calculated formula | C21 H17 Br N2 O3 |
SMILES | Brc1ccc(n2ncc3c2C(=C2[C@@](C3)([C@@H](OC2=O)c2cocc2)C)C)cc1 |
Title of publication | Design, synthesis, antibacterial and insecticidal activities of novel N-phenylpyrazole fraxinellone hybrid compounds |
Authors of publication | Guo, Yong; Wang, Xiaoguang; Qu, Lailiang; Xu, Shengnan; Zhao, Yi; Xie, Ruoqian; Huang, Mengxing; Zhang, Yanbing |
Journal of publication | RSC Adv. |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 19 |
Pages of publication | 11796 |
a | 8.5895 ± 0.001 Å |
b | 12.3063 ± 0.001 Å |
c | 9.7721 ± 0.0009 Å |
α | 90° |
β | 111.94 ± 0.013° |
γ | 90° |
Cell volume | 958.15 ± 0.18 Å3 |
Cell temperature | 295.05 ± 0.1 K |
Ambient diffraction temperature | 295.05 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1506 |
Residual factor for significantly intense reflections | 0.0688 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1798 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7227706.html
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