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Information card for entry 3500075
Preview
| Coordinates | 3500075.cif |
|---|---|
| Structure factors | 3500075.hkl |
| Formula | C7 H9 N3 O3 |
|---|---|
| Calculated formula | C7 H9 N3 O3 |
| Authors of publication | Miguel N. Moreno-Carretero |
| Journal of publication | Personal communication to COD |
| Year of publication | 2018 |
| a | 8.9021 ± 0.0009 Å |
| b | 9.6475 ± 0.001 Å |
| c | 9.567 ± 0.0009 Å |
| α | 90° |
| β | 107.713 ± 0.004° |
| γ | 90° |
| Cell volume | 782.69 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0701 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207832 (current) | 2018-05-17 | cif/ hkl/ Adding structures of 3500075 via cif-deposit CGI script. |
3500075.cif 3500075.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.