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Information card for entry 4029626
Preview
| Coordinates | 4029626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H34 N2 O7 S2 |
|---|---|
| Calculated formula | C28 H34 N2 O7 S2 |
| SMILES | c1cc(C)ccc1S(=O)(=O)N(c1c(cc(c(c1)OCC)N1CCOCC1)OCC)S(=O)(=O)c1ccc(C)cc1 |
| Title of publication | Electrochemical synthesis of sulfonamide derivatives based on the oxidation of 2,5-diethoxy-4-morpholinoaniline in the presence of arylsulfinic acids. |
| Authors of publication | Beiginejad, Hadi; Nematollahi, Davood |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 79 |
| Journal issue | 13 |
| Pages of publication | 6326 - 6329 |
| a | 8.9439 ± 0.0015 Å |
| b | 11.99 ± 0.002 Å |
| c | 14.673 ± 0.002 Å |
| α | 107.716 ± 0.012° |
| β | 96.599 ± 0.013° |
| γ | 100.669 ± 0.013° |
| Cell volume | 1448.1 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0912 |
| Residual factor for significantly intense reflections | 0.0851 |
| Weighted residual factors for significantly intense reflections | 0.1918 |
| Weighted residual factors for all reflections included in the refinement | 0.1992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.573 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4029626.cif |
| 178475 | 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 4/02/96. |
4029626.cif |
| 119172 | 2014-07-05 | cif/ Updating files of 4029626 Original log message: Adding full bibliography for 4029626.cif. |
4029626.cif |
| 117944 | 2014-06-22 | cif/ Adding structures of 4029626 via cif-deposit CGI script. |
4029626.cif |
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Users of the data should acknowledge the original authors of the
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