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Information card for entry 8105838
Preview
| Coordinates | 8105838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 N4 O7 |
|---|---|
| Calculated formula | C16 H22 N4 O7 |
| Title of publication | Crystal structure of 3-amino-2-hydroxy-6-methoxybenzamide hydrate, C16H22N4O7 |
| Authors of publication | Gan, Lin Ling; Wang, Bo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 747 - 748 |
| a | 26.279 ± 0.015 Å |
| b | 30.02 ± 0.017 Å |
| c | 4.404 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3474 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278081 (current) | 2022-09-22 | cif/ Adding structures of 8105838 via cif-deposit CGI script. |
8105838.cif |
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Users of the data should acknowledge the original authors of the
structural data.