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Information card for entry 2239558
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| Coordinates | 2239558.cif |
|---|---|
| Structure factors | 2239558.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(2-Formylphenyl)-4-methyl-<i>N</i>-[(4-methylphenyl)sulfonyl]benzenesulfonamide |
|---|---|
| Formula | C21 H19 N O5 S2 |
| Calculated formula | C21 H19 N O5 S2 |
| SMILES | O=Cc1ccccc1N(S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C |
| Title of publication | <i>N</i>-(2-Formylphenyl)-4-methyl-<i>N</i>-[(4-methylphenyl)sulfonyl]benzenesulfonamide |
| Authors of publication | Kim, Sung-Gon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o660 |
| a | 15.5505 ± 0.0006 Å |
| b | 7.8816 ± 0.0003 Å |
| c | 16.6876 ± 0.0007 Å |
| α | 90° |
| β | 103.942 ± 0.001° |
| γ | 90° |
| Cell volume | 1985.03 ± 0.14 Å3 |
| Cell temperature | 199 ± 2 K |
| Ambient diffraction temperature | 199 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0953 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239558.cif 2239558.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239558.cif 2239558.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239558.cif 2239558.hkl |
| 113935 | 2014-05-18 | cif/ hkl/ Adding structures of 2239558 via cif-deposit CGI script. |
2239558.cif 2239558.hkl |
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