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Information card for entry 8107175
Preview
| Coordinates | 8107175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H27 N5 O9 S |
|---|---|
| Calculated formula | C24 H27 N5 O9 S |
| Title of publication | Crystal structure of 6,9-diamino-2-ethoxyacridinium 3,5-dinitrobenozate — dimethylsulfoxide — water (1/1/1), C24H27N5O9S |
| Authors of publication | Mirocki, Artur |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 639 - 641 |
| a | 7.5749 ± 0.0004 Å |
| b | 10.0368 ± 0.0005 Å |
| c | 17.9111 ± 0.001 Å |
| α | 87.224 ± 0.004° |
| β | 83.678 ± 0.004° |
| γ | 85.414 ± 0.004° |
| Cell volume | 1348.05 ± 0.12 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0844 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283677 (current) | 2023-05-11 | cif/ Adding structures of 8107175 via cif-deposit CGI script. |
8107175.cif |
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Users of the data should acknowledge the original authors of the
structural data.