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Information card for entry 7228135
Preview
| Coordinates | 7228135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H30 Cl4 N6 O4 |
|---|---|
| Calculated formula | C37 H30 Cl4 N6 O4 |
| Title of publication | Novel solid forms of lonidamine: crystal structures and physicochemical properties |
| Authors of publication | Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 8.5711 ± 0.0002 Å |
| b | 12.3681 ± 0.0004 Å |
| c | 16.627 ± 0.0005 Å |
| α | 79.963 ± 0.003° |
| β | 81.329 ± 0.002° |
| γ | 84.947 ± 0.003° |
| Cell volume | 1712.32 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0611 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195837 (current) | 2017-04-28 | cif/ Adding structures of 7228121, 7228122, 7228123, 7228124, 7228125, 7228126, 7228127, 7228128, 7228129, 7228130, 7228131, 7228132, 7228133, 7228134, 7228135, 7228136, 7228137 via cif-deposit CGI script. |
7228135.cif |
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Users of the data should acknowledge the original authors of the
structural data.