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Information card for entry 8107110
Preview
| Coordinates | 8107110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 F2 N2 O2 |
|---|---|
| Calculated formula | C18 H16 F2 N2 O2 |
| Title of publication | Crystal structure of 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H16F2N2O2 |
| Authors of publication | Lou, He |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 4 |
| Pages of publication | 1091 - 1092 |
| a | 11.619 ± 0.003 Å |
| b | 9.481 ± 0.002 Å |
| c | 14.555 ± 0.003 Å |
| α | 90° |
| β | 98.799 ± 0.004° |
| γ | 90° |
| Cell volume | 1584.5 ± 0.6 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282819 (current) | 2023-04-25 | cif/ Adding structures of 8107110 via cif-deposit CGI script. |
8107110.cif |
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Users of the data should acknowledge the original authors of the
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