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Information card for entry 8107066
Preview
| Coordinates | 8107066.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 F3 N2 O2 |
|---|---|
| Calculated formula | C17 H13 F3 N2 O2 |
| Title of publication | Crystal structure of 2-amino-4-(3-trifluoromethylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C17H13F3N2O2 |
| Authors of publication | Bu, Xian-Zhong; Shi, Juan-Juan; Gao, Ke; Long, Tao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 969 - 970 |
| a | 8.2615 ± 0.0007 Å |
| b | 8.7262 ± 0.0007 Å |
| c | 11.6521 ± 0.0009 Å |
| α | 105.872 ± 0.007° |
| β | 104.107 ± 0.007° |
| γ | 95.738 ± 0.007° |
| Cell volume | 771.02 ± 0.12 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 | 0.0797 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.1332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.854 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282510 (current) | 2023-04-07 | cif/ Adding structures of 8107066 via cif-deposit CGI script. |
8107066.cif |
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Users of the data should acknowledge the original authors of the
structural data.