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Information card for entry 2237574
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| Coordinates | 2237574.cif |
|---|---|
| Structure factors | 2237574.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-carboxy-<i>N</i>-{[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]methylimino}anilinium) sulfate monohydrate |
|---|---|
| Formula | C40 H46 N6 O11 S |
| Calculated formula | C40 H44 N6 O11 S |
| Title of publication | Bis(2-carboxy-<i>N</i>-{[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]methylimino}anilinium) sulfate monohydrate |
| Authors of publication | Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o343 - o344 |
| a | 12.253 ± 0.0009 Å |
| b | 14.6114 ± 0.0003 Å |
| c | 23.2442 ± 0.0004 Å |
| α | 71.681 ± 0.001° |
| β | 87.688 ± 0.002° |
| γ | 82.627 ± 0.007° |
| Cell volume | 3917.9 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1355 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181297 (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 2/23/75. |
2237574.cif 2237574.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2237574.cif 2237574.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. |
2237574.cif 2237574.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237574.cif 2237574.hkl |
| 78877 | 2013-04-02 | cif/ Adding structures of 2237574 via cif-deposit CGI script. |
2237574.cif |
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Users of the data should acknowledge the original authors of the
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