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Information card for entry 8106896
Preview
| Coordinates | 8106896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H15 F3 N2 O2 |
|---|---|
| Calculated formula | C18 H15 F3 N2 O2 |
| Title of publication | Crystal structure of 2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trifluorophenyl)-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C18H15F3N2O2 |
| Authors of publication | Meng, Qinghua; Zhang, Shuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 427 - 428 |
| a | 9.5271 ± 0.0008 Å |
| b | 17.2629 ± 0.0009 Å |
| c | 10.556 ± 0.0009 Å |
| α | 90° |
| β | 113.526 ± 0.004° |
| γ | 90° |
| Cell volume | 1591.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281769 (current) | 2023-03-09 | cif/ Adding structures of 8106896 via cif-deposit CGI script. |
8106896.cif |
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Users of the data should acknowledge the original authors of the
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