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Information card for entry 4501815
Preview
| Coordinates | 4501815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C19 H21 N3 O8 S2 |
|---|---|
| Calculated formula | C19 H21 N3 O8 S2 |
| SMILES | c12S(=O)(=O)N(C(=C(O)c1cccc2)C(=O)Nc1sc(C)cn1)C.O=C(O)CCCC(=O)O |
| 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 | 7.181 ± 0.002 Å |
| b | 8.439 ± 0.003 Å |
| c | 18.364 ± 0.006 Å |
| α | 80.737 ± 0.004° |
| β | 85.464 ± 0.004° |
| γ | 70.865 ± 0.004° |
| Cell volume | 1037.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0377 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4501815.cif |
| 179549 | 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. |
4501815.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501815.cif |
| 36126 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501814, 4501815, 4501816, 4501817, 4501818, 4501819 via cif-deposit CGI script. |
4501815.cif |
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Users of the data should acknowledge the original authors of the
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