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Information card for entry 7217787
Preview
| Coordinates | 7217787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ezetimibe-Formamide |
|---|---|
| Chemical name | Ezetimibe-Formamide |
| Formula | C25 H24 F2 N2 O4 |
| Calculated formula | C25 H24 F2 N2 O4 |
| SMILES | O[C@@H](c1ccc(F)cc1)CC[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(O)cc1.O=CN |
| Title of publication | New cocrystals of ezetimibe withl-proline and imidazole |
| Authors of publication | Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 38 |
| Pages of publication | 8984 |
| a | 6.14 ± 0.0002 Å |
| b | 17.077 ± 0.0007 Å |
| c | 21.35 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2238.61 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0986 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180508 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77. |
7217787.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7217787.cif |
| 124672 | 2014-10-06 | cif/ Updating files of 7217785, 7217786, 7217787 Original log message: Adding full bibliography for 7217785--7217787.cif. |
7217787.cif |
| 122234 | 2014-08-19 | cif/ Adding structures of 7217785, 7217786, 7217787 via cif-deposit CGI script. |
7217787.cif |
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