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Information card for entry 4024913
Preview
| Coordinates | 4024913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H23 N O3 S3 |
|---|---|
| Calculated formula | C18 H23 N O3 S3 |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)NC(CSSCc1ccccc1)CCO |
| Title of publication | Direct Synthesis of Functionalized Unsymmetrical β-Sulfonamido Disulfides by Tetrathiomolybdate Mediated Aziridine Ring-Opening Reactions |
| Authors of publication | Devarajulu Sureshkumar; Venkataraman Ganesh; Ravindran Sasitha Vidyarini; Srinivasan Chandrasekaran |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 7958 - 7961 |
| a | 7.5749 ± 0.0012 Å |
| b | 25.133 ± 0.004 Å |
| c | 10.4138 ± 0.0016 Å |
| α | 90° |
| β | 94.329 ± 0.003° |
| γ | 90° |
| Cell volume | 1976.9 ± 0.6 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178428 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/49. |
4024913.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024913.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024913.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024913.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024913.cif |
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Users of the data should acknowledge the original authors of the
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