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Information card for entry 7250338
Preview
| Coordinates | 7250338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N,N'-bis(9-phenyl-9-thioxanthenyl)-butane-1,4-diamine |
|---|---|
| Formula | C49 H48 N2 O S2 |
| Calculated formula | C49 H48 N2 O S2 |
| Title of publication | The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones |
| Authors of publication | Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric Cyriel |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 9.2379 ± 0.0005 Å |
| b | 9.5888 ± 0.0005 Å |
| c | 12.5881 ± 0.0007 Å |
| α | 93.28 ± 0.002° |
| β | 101.236 ± 0.002° |
| γ | 115.915 ± 0.0019° |
| Cell volume | 970.82 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.082 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1439 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299417 (current) | 2025-04-26 | cif/ Adding structures of 7250335, 7250336, 7250337, 7250338, 7250339 via cif-deposit CGI script. |
7250338.cif |
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Users of the data should acknowledge the original authors of the
structural data.