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Information card for entry 2240805
Preview
| Coordinates | 2240805.cif |
|---|---|
| Structure factors | 2240805.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Formula | C17 H27 N O2 S |
|---|---|
| Calculated formula | C17 H27 N O2 S |
| SMILES | S(=O)(=O)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)N1CC1 |
| Title of publication | Crystal structure of 1-[(2,4,6-triisopropylphenyl)sulfonyl]aziridine |
| Authors of publication | Knauer, Lena; Golz, Christopher; Strohmann, Carsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o438 - o439 |
| a | 6.2679 ± 0.0008 Å |
| b | 17.5289 ± 0.0018 Å |
| c | 16.389 ± 0.0013 Å |
| α | 90° |
| β | 100.331 ± 0.01° |
| γ | 90° |
| Cell volume | 1771.5 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240805.cif 2240805.hkl |
| 181908 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240805.cif 2240805.hkl |
| 138436 | 2015-06-06 | cif/ hkl/ Adding structures of 2240805 via cif-deposit CGI script. |
2240805.cif 2240805.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.