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Information card for entry 2238562
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| Coordinates | 2238562.cif |
|---|---|
| Structure factors | 2238562.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Chloro-2-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde |
|---|---|
| Formula | C25 H15 Cl N2 O6 S |
| Calculated formula | C25 H15 Cl N2 O6 S |
| SMILES | c12ccccc1c1c(cc(c(c1O)C=O)c1ccc(cc1N(=O)=O)Cl)n2S(=O)(=O)c1ccccc1 |
| Title of publication | 2-(4-Chloro-2-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde |
| Authors of publication | Gopinath, S.; Sethusankar, K.; Ramalingam, Bose Muthu; Mohanakrishnan, Arasambattu K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | o1420 - o1421 |
| a | 8.1947 ± 0.0015 Å |
| b | 14.384 ± 0.003 Å |
| c | 18.795 ± 0.003 Å |
| α | 90° |
| β | 90.963 ± 0.009° |
| γ | 90° |
| Cell volume | 2215.1 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1468 |
| Weighted residual factors for all reflections included in the refinement | 0.1721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181307 (current) | 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 2/23/85. |
2238562.cif 2238562.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. |
2238562.cif 2238562.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238562.cif 2238562.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238562.cif 2238562.hkl |
| 88706 | 2013-10-02 | cif/ Adding structures of 2238562 via cif-deposit CGI script. |
2238562.cif |
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