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Information card for entry 2233292
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| Coordinates | 2233292.cif |
|---|---|
| Structure factors | 2233292.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2,2',5,5'-Tetrachloro-<i>N</i>,<i>N</i>'-diethyl-<i>N</i>,<i>N</i>'- [benzene-1,3-diylbis(methylene)]dibenzenesulfonamide |
|---|---|
| Formula | C24 H24 Cl4 N2 O4 S2 |
| Calculated formula | C24 H24 Cl4 N2 O4 S2 |
| SMILES | c1c(cccc1CN(CC)S(=O)(=O)c1c(ccc(c1)Cl)Cl)CN(CC)S(=O)(=O)c1c(ccc(c1)Cl)Cl |
| Title of publication | 2,2',5,5'-Tetrachloro-<i>N</i>,<i>N</i>'-diethyl-<i>N</i>,<i>N</i>'-[benzene-1,3-diylbis(methylene)]dibenzenesulfonamide |
| Authors of publication | Ejaz; Khan, Islam Ullah; Sheikh, Tahir Ali; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o15 |
| a | 8.0396 ± 0.0002 Å |
| b | 11.1512 ± 0.0003 Å |
| c | 15.5723 ± 0.0003 Å |
| α | 87.454 ± 0.001° |
| β | 83.378 ± 0.001° |
| γ | 87.995 ± 0.001° |
| Cell volume | 1384.76 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.1017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2233292.cif 2233292.hkl |
| 181254 | 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 2/23/32. |
2233292.cif 2233292.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. |
2233292.cif 2233292.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233292.cif 2233292.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. | 2233292.cif 2233292.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233292.cif 2233292.hkl |
| 32357 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233292 via cif-deposit CGI script. |
2233292.cif |
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Users of the data should acknowledge the original authors of the
structural data.