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Information card for entry 8106832
Preview
| Coordinates | 8106832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H12 F2 N2 O2 |
|---|---|
| Calculated formula | C16 H12 F2 N2 O2 |
| Title of publication | Crystal structure of 2-amino-4-(3,4-difluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12N2O2F2 |
| Authors of publication | Zhang, Guang-Hui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 223 - 224 |
| a | 13.2109 ± 0.0011 Å |
| b | 10.957 ± 0.001 Å |
| c | 20.2646 ± 0.0018 Å |
| α | 90° |
| β | 101.411 ± 0.009° |
| γ | 90° |
| Cell volume | 2875.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0754 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1445 |
| Weighted residual factors for all reflections included in the refinement | 0.1649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281652 (current) | 2023-03-06 | cif/ Adding structures of 8106832 via cif-deposit CGI script. |
8106832.cif |
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Users of the data should acknowledge the original authors of the
structural data.