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Information card for entry 4501816
Preview
| Coordinates | 4501816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H32 N6 O13 S4 |
|---|---|
| Calculated formula | C32 H32 N6 O13 S4 |
| SMILES | c1cccc2S(=O)(=O)N(C(=C(c12)O)C(=O)Nc1ncc(s1)C)C.[O-]C(=O)C[C@H](O)C(=O)O.O=C(C1=C(c2ccccc2S(=O)(=O)N1C)O)Nc1sc(c[nH+]1)C |
| Title of publication | Supramolecular Architectures of Meloxicam Carboxylic Acid Cocrystals, a Crystal Engineering Case Study |
| Authors of publication | Cheney, Miranda L.; Weyna, David R.; Shan, Ning; Hanna, Mazen; Wojtas, Lukasz; Zaworotko, Michael J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 10 |
| Pages of publication | 4401 |
| a | 7.278 ± 0.002 Å |
| b | 8.55 ± 0.002 Å |
| c | 15.15 ± 0.004 Å |
| α | 84.115 ± 0.003° |
| β | 81.617 ± 0.004° |
| γ | 70.489 ± 0.003° |
| Cell volume | 877.6 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179549 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/18. |
4501816.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501816.cif |
| 36126 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501814, 4501815, 4501816, 4501817, 4501818, 4501819 via cif-deposit CGI script. |
4501816.cif |
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Users of the data should acknowledge the original authors of the
structural data.