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Information card for entry 1569100
Preview
| Coordinates | 1569100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | MR-424 |
|---|---|
| Formula | C25 H48 Cl2 N7 P S2 Si |
| Calculated formula | C25 H48 Cl2 N7 P S2 Si |
| SMILES | ClCCl.S=C1N(C2[Si](N(CC)CC)(N(CC)CC)C3N(C(=S)N(C=3P(N(C(C)C)C(C)C)C=2N1C)C)C)C |
| a | 8.9603 ± 0.0007 Å |
| b | 17.4246 ± 0.0012 Å |
| c | 21.3272 ± 0.0014 Å |
| α | 90° |
| β | 93.483 ± 0.003° |
| γ | 90° |
| Cell volume | 3323.7 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.0648 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283668 (current) | 2023-05-11 | cif/ Adding structures of 1569096, 1569097, 1569098, 1569099, 1569100, 1569101 via cif-deposit CGI script. |
1569100.cif |
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Users of the data should acknowledge the original authors of the
structural data.