Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233461
Preview
| Coordinates | 2233461.cif |
|---|---|
| Structure factors | 2233461.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(3-Methylbenzenesulfonamido)phenyl 3-methylbenzenesulfonate |
|---|---|
| Formula | C20 H19 N O5 S2 |
| Calculated formula | C20 H19 N O5 S2 |
| Title of publication | 4-(3-Methylbenzenesulfonamido)phenyl 3-methylbenzenesulfonate |
| 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 | 2 |
| Pages of publication | o258 |
| a | 14.4352 ± 0.0001 Å |
| b | 9.125 ± 0.0001 Å |
| c | 15.4402 ± 0.0002 Å |
| α | 90° |
| β | 109.7 ± 0.001° |
| γ | 90° |
| Cell volume | 1914.76 ± 0.04 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181256 (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 2/23/34. |
2233461.cif 2233461.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. |
2233461.cif 2233461.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233461.cif 2233461.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. | 2233461.cif 2233461.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233461.cif 2233461.hkl |
| 38257 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233461 via cif-deposit CGI script. |
2233461.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.