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Information card for entry 2240355
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| Coordinates | 2240355.cif |
|---|---|
| Structure factors | 2240355.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-ethoxy-1-{4-[2-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]benzyl}-1<i>H</i>-1,3-benzodiazole-7-carboxylate ethyl acetate hemisolvate |
|---|---|
| Formula | C28 H26 N4 O6 |
| Calculated formula | C28 H26 N4 O6 |
| SMILES | n1c2c(n(Cc3ccc(c4c(cccc4)C4NC(=O)ON=4)cc3)c1OCC)c(C(=O)OC)ccc2.O(C(=O)C)CC |
| Title of publication | Crystal structure of azilsartan methyl ester ethyl acetate hemisolvate |
| Authors of publication | Li, Zhengyi; Liu, Rong; Zhu, Meilan; Chen, Liang; Sun, Xiaoqiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o84 - o85 |
| a | 13.662 ± 0.005 Å |
| b | 14.928 ± 0.006 Å |
| c | 15.356 ± 0.01 Å |
| α | 95.459 ± 0.011° |
| β | 106.226 ± 0.011° |
| γ | 116.524 ± 0.008° |
| Cell volume | 2601 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0923 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1923 |
| Weighted residual factors for all reflections included in the refinement | 0.2214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240355.cif 2240355.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240355.cif 2240355.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240355.cif 2240355.hkl |
| 129347 | 2015-01-04 | cif/ hkl/ Adding structures of 2240355 via cif-deposit CGI script. |
2240355.cif 2240355.hkl |
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Users of the data should acknowledge the original authors of the
structural data.