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Information card for entry 2238145
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| Coordinates | 2238145.cif |
|---|---|
| Structure factors | 2238145.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-Diphenyl-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonamide |
|---|---|
| Formula | C26 H18 N2 O6 S2 |
| Calculated formula | C26 H18 N2 O6 S2 |
| SMILES | O=C1c2cc(ccc2C(=O)c2c1cc(cc2)S(=O)(=O)Nc1ccccc1)S(=O)(=O)Nc1ccccc1 |
| Title of publication | <i>N</i>,<i>N</i>'-Diphenyl-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonamide |
| Authors of publication | Yuan, Wei-Guan; Zhang, Hong-Ling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1172 |
| a | 10.247 ± 0.004 Å |
| b | 6.395 ± 0.002 Å |
| c | 36.265 ± 0.012 Å |
| α | 90° |
| β | 104.511 ± 0.012° |
| γ | 90° |
| Cell volume | 2300.6 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1547 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (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 2/23/81. |
2238145.cif 2238145.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. |
2238145.cif 2238145.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238145.cif 2238145.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238145.cif 2238145.hkl |
| 87385 | 2013-08-27 | cif/ Adding structures of 2238145 via cif-deposit CGI script. |
2238145.cif |
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Users of the data should acknowledge the original authors of the
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