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Information card for entry 2231375
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| Coordinates | 2231375.cif |
|---|---|
| Structure factors | 2231375.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-Bis(4-chlorophenylsulfonyl)adipamide |
|---|---|
| Formula | C18 H18 Cl2 N2 O6 S2 |
| Calculated formula | C18 H18 Cl2 N2 O6 S2 |
| SMILES | O=C(NS(=O)(=O)c1ccc(cc1)Cl)CCCCC(=O)NS(=O)(=O)c1ccc(cc1)Cl |
| Title of publication | <i>N</i>,<i>N</i>'-Bis(4-chlorophenylsulfonyl)adipamide |
| Authors of publication | Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o2179 |
| a | 5.593 ± 0.001 Å |
| b | 8.827 ± 0.002 Å |
| c | 9.908 ± 0.002 Å |
| α | 89.28 ± 0.02° |
| β | 87.75 ± 0.02° |
| γ | 81.16 ± 0.01° |
| Cell volume | 482.96 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.2128 |
| Residual factor for significantly intense reflections | 0.0806 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181235 (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 2/23/13. |
2231375.cif 2231375.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. |
2231375.cif 2231375.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231375.cif 2231375.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. | 2231375.cif 2231375.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231375.cif 2231375.hkl |
| 27293 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231375 via cif-deposit CGI script. |
2231375.cif |
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Users of the data should acknowledge the original authors of the
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