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Information card for entry 7119163
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| Coordinates | 7119163.cif |
|---|
| Chemical name | piroxicam |
|---|---|
| Formula | C15 H13 N3 O4 S |
| Calculated formula | C15 H13 N3 O4 S |
| SMILES | S1(=O)(=O)N(C(=C(O)c2c1cccc2)C(=O)Nc1ncccc1)C |
| Title of publication | Selective preparation of elusive and alternative single component polymorphic solid forms through multi-component crystallisation routes |
| Authors of publication | Lynne H. Thomas; Craig Wales; Chick C. Wilson |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 7372 |
| a | 12.6899 ± 0.0009 Å |
| b | 14.6928 ± 0.0009 Å |
| c | 20.5097 ± 0.0016 Å |
| α | 84.866 ± 0.002° |
| β | 74.669 ± 0.003° |
| γ | 84.683 ± 0.002° |
| Cell volume | 3663.7 ± 0.4 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 | 0.1569 |
| Residual factor for significantly intense reflections | 0.0809 |
| Weighted residual factors for significantly intense reflections | 0.2094 |
| Weighted residual factors for all reflections included in the refinement | 0.2819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186020 (current) | 2016-08-26 | cif/ Adding structures of 7119160, 7119161, 7119162, 7119163, 7119164 via cif-deposit CGI script. |
7119163.cif |
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Users of the data should acknowledge the original authors of the
structural data.