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Information card for entry 2239462
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| Coordinates | 2239462.cif |
|---|---|
| Structure factors | 2239462.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline |
|---|---|
| Formula | C21 H20 N2 O2 S |
| Calculated formula | C21 H20 N2 O2 S |
| SMILES | CS(=O)(=O)c1ccc(cc1)NCCn1c2ccccc2c2c1cccc2 |
| Title of publication | <i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline |
| Authors of publication | Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o332 |
| a | 15.061 ± 0.003 Å |
| b | 21.992 ± 0.004 Å |
| c | 5.437 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1800.9 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| 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. |
2239462.cif 2239462.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. |
2239462.cif 2239462.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. |
2239462.cif 2239462.hkl |
| 110745 | 2014-04-19 | cif/ hkl/ Adding structures of 2239462 via cif-deposit CGI script. |
2239462.cif 2239462.hkl |
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Users of the data should acknowledge the original authors of the
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