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Information card for entry 2228325
Preview
| Coordinates | 2228325.cif |
|---|---|
| Structure factors | 2228325.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-Phenylsulfonyl-2,3-dihydro-7<i>H</i>- 1,4-benzodioxino[6,7-<i>b</i>]carbazole |
|---|---|
| Formula | C24 H17 N O4 S |
| Calculated formula | C24 H17 N O4 S |
| SMILES | O=S(=O)(n1c2cc3cc4OCCOc4cc3cc2c2c1cccc2)c1ccccc1 |
| Title of publication | 7-Phenylsulfonyl-2,3-dihydro-7<i>H</i>-1,4-benzodioxino[6,7-<i>b</i>]carbazole |
| Authors of publication | Kanchanadevi, J.; Dhayalan, V.; Mohanakrishnan, A. K.; Anbalagan, G.; Chakkaravarthi, G.; Manivannan, V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3264 - o3265 |
| a | 13.189 ± 0.005 Å |
| b | 16.363 ± 0.006 Å |
| c | 18.039 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3893 ± 2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228325.cif 2228325.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228325.cif 2228325.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228325.cif 2228325.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228325.cif 2228325.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228325.cif 2228325.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228325.cif 2228325.hkl |
| 5776 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228322, 2228323, 2228324, 2228325, 2228326, 2228327, 2228328, 2228329, 2228330, 2228331 via cif-deposit CGI script. |
2228325.cif |
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Users of the data should acknowledge the original authors of the
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