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Information card for entry 2234220
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| Coordinates | 2234220.cif |
|---|---|
| Structure factors | 2234220.hkl |
| Original IUCr paper | HTML |
| Common name | 4-{[(4-fluorophenyl)sulfonyl]amino}phenyl 4-fluorobenzenesulfonate |
|---|---|
| Chemical name | 4-(4-Fluorobenzenesulfonamido)phenyl 4-fluorobenzenesulfonate |
| Formula | C18 H13 F2 N O5 S2 |
| Calculated formula | C18 H13 F2 N O5 S2 |
| Title of publication | 4-(4-Fluorobenzenesulfonamido)phenyl 4-fluorobenzenesulfonate |
| Authors of publication | Al-Najjar, Belal O.; Tengku Muhammad, Tengku Sifzizul; Wahab, Habibah A.; Rosli, Mohd Mustaqim; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1094 |
| a | 8.9683 ± 0.0001 Å |
| b | 11.0323 ± 0.0001 Å |
| c | 9.3314 ± 0.0001 Å |
| α | 90° |
| β | 102.363 ± 0.001° |
| γ | 90° |
| Cell volume | 901.848 ± 0.017 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.0392 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (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 2/23/42. |
2234220.cif 2234220.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. |
2234220.cif 2234220.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234220.cif 2234220.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. | 2234220.cif 2234220.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234220.cif 2234220.hkl |
| 55486 | 2012-05-05 | cif/ Adding structures of 2234220 via cif-deposit CGI script. |
2234220.cif |
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Users of the data should acknowledge the original authors of the
structural data.