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Information card for entry 2238978
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| Coordinates | 2238978.cif |
|---|---|
| Structure factors | 2238978.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4,5-Dichloro-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole |
|---|---|
| Formula | C26 H18 Cl2 N2 O5 S |
| Calculated formula | C26 H18 Cl2 N2 O5 S |
| SMILES | c12ccccc1c1c(c(c(cc1n2S(=O)(=O)c1ccccc1)c1cc(c(cc1N(=O)=O)Cl)Cl)C)OC |
| Title of publication | 2-(4,5-Dichloro-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole |
| Authors of publication | Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o212 - o213 |
| a | 18.6364 ± 0.0007 Å |
| b | 12.1665 ± 0.0004 Å |
| c | 21.1272 ± 0.0007 Å |
| α | 90° |
| β | 91.461 ± 0.002° |
| γ | 90° |
| Cell volume | 4788.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181889 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89. |
2238978.cif 2238978.hkl |
| 181308 | 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 2/23/89. |
2238978.cif 2238978.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. |
2238978.cif 2238978.hkl |
| 104810 | 2014-03-11 | cif/ hkl/ Adding structures of 2238978 via cif-deposit CGI script. |
2238978.cif 2238978.hkl |
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Users of the data should acknowledge the original authors of the
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