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Information card for entry 7103779
Preview
| Coordinates | 7103779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C29 H27 Cl2 N3 O6 S4 |
|---|---|
| Calculated formula | C29 H27 Cl2 N3 O6 S4 |
| SMILES | c12c(C(C(N(S2=NS(=O)(=O)c2ccc(cc2)C)S(=O)(=O)c2ccc(cc2)C)NS(=O)(=O)c2ccc(cc2)C)(Cl)Cl)cccc1 |
| Title of publication | On the sulfimidation of benzo (b) thiophene |
| Authors of publication | Andrew Boa; Stephen J. Archibald; Nela Pesa |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 9.5409 ± 0.001 Å |
| b | 13.9647 ± 0.0009 Å |
| c | 23.344 ± 0.002 Å |
| α | 90° |
| β | 96.45 ± 0.008° |
| γ | 90° |
| Cell volume | 3090.5 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1216 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections included in the refinement | 0.0652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.607 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7103779.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7103779.cif |
| 180140 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/37. |
7103779.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103779.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103779.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. |
7103779.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103779.cif |
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