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Information card for entry 8106640
Preview
| Coordinates | 8106640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 F N4 O4 |
|---|---|
| Calculated formula | C18 H21 F N4 O4 |
| Title of publication | Important impurity of Flupirtine – a single crystal study on ethyl (6-amino-5-((ethoxycarbonyl)amino)pyridin-2-yl)(4-fluorobenzyl)carbamate, C18H21FN4O4 |
| Authors of publication | Wang, Kun-Yan; Yang, Xiao-Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 677 - 678 |
| a | 9.4973 ± 0.0008 Å |
| b | 12.842 ± 0.0011 Å |
| c | 15.305 ± 0.0015 Å |
| α | 90° |
| β | 103.468 ± 0.004° |
| γ | 90° |
| Cell volume | 1815.3 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1008 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280704 (current) | 2023-01-31 | cif/ Adding structures of 8106640 via cif-deposit CGI script. |
8106640.cif |
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Users of the data should acknowledge the original authors of the
structural data.