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Information card for entry 2239449
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| Coordinates | 2239449.cif |
|---|---|
| Structure factors | 2239449.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde |
|---|---|
| Formula | C25 H15 F N2 O6 S |
| Calculated formula | C25 H15 F N2 O6 S |
| SMILES | c12ccccc1c1c(cc(c(c1O)C=O)c1ccc(cc1N(=O)=O)F)n2S(=O)(=O)c1ccccc1 |
| Title of publication | 2-(4-Fluoro-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde |
| Authors of publication | Gopinath, S.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o273 - o274 |
| a | 8.124 ± 0.005 Å |
| b | 14.191 ± 0.005 Å |
| c | 18.607 ± 0.005 Å |
| α | 90° |
| β | 93.82 ± 0.005° |
| γ | 90° |
| Cell volume | 2140.4 ± 1.6 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 | 0.0818 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1227 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239449.cif 2239449.hkl |
| 181313 | 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 2/23/94. |
2239449.cif 2239449.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. |
2239449.cif 2239449.hkl |
| 110732 | 2014-04-19 | cif/ hkl/ Adding structures of 2239449 via cif-deposit CGI script. |
2239449.cif 2239449.hkl |
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