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Information card for entry 8104934
Preview
| Coordinates | 8104934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H14 F4 O2 |
|---|---|
| Calculated formula | C19 H14 F4 O2 |
| Title of publication | Crystal structure of (E)-2-(4-fluoro-2-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2 |
| Authors of publication | Luan, Ming-Zhu; Wang, Hui-Yun; Zhang, Mei; Song, Jia; Xu, Yang-Rong; Zhao, Feng-Lan; Meng, Qing-Guo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 245 - 247 |
| a | 17.1519 ± 0.0013 Å |
| b | 13.981 ± 0.0008 Å |
| c | 15.2299 ± 0.0009 Å |
| α | 90° |
| β | 123.031 ± 0.007° |
| γ | 90° |
| Cell volume | 3061.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274097 (current) | 2022-03-30 | cif/ Adding structures of 8104934 via cif-deposit CGI script. |
8104934.cif |
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Users of the data should acknowledge the original authors of the
structural data.