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Information card for entry 7128157
Preview
| Coordinates | 7128157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N,N'-Bis(4-(2,2-dimethylethyl)phenyl)sulfamide |
|---|---|
| Formula | C20 H28 N2 O2 S |
| Calculated formula | C20 H28 N2 O2 S |
| Title of publication | Electrochemical synthesis of sulfamides. |
| Authors of publication | Blum, Stephan P.; Schäffer, Lukas; Schollmeyer, Dieter; Waldvogel, Siegfried R. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 39 |
| Pages of publication | 4775 - 4778 |
| a | 11.6468 ± 0.0005 Å |
| b | 12.4428 ± 0.0006 Å |
| c | 14.4199 ± 0.0007 Å |
| α | 105.247 ± 0.004° |
| β | 94.682 ± 0.004° |
| γ | 92.488 ± 0.004° |
| Cell volume | 2004.85 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0663 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7128157.cif |
| 265873 | 2021-06-05 | cif/ Updating files of 7128157 Original log message: Adding full bibliography for 7128157.cif. |
7128157.cif |
| 264064 | 2021-04-13 | cif/ Adding structures of 7128157 via cif-deposit CGI script. |
7128157.cif |
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Users of the data should acknowledge the original authors of the
structural data.