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Information card for entry 7220392
Preview
| Coordinates | 7220392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | felodipine:acetone (1:1) |
|---|---|
| Chemical name | felodipine:acetone (1:1) |
| Formula | C21 H25 Cl2 N O5 |
| Calculated formula | C21 H25 Cl2 N O5 |
| SMILES | Clc1c(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)cccc1Cl.O=C(C)C |
| Title of publication | Diversity of felodipine solvates: structure and physicochemical properties |
| Authors of publication | Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 22 |
| Pages of publication | 4089 |
| a | 9.1774 ± 0.0008 Å |
| b | 16.6983 ± 0.0015 Å |
| c | 14.3375 ± 0.0011 Å |
| α | 90° |
| β | 105.865 ± 0.004° |
| γ | 90° |
| Cell volume | 2113.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0587 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220392.cif |
| 138522 | 2015-06-07 | cif/ Updating files of 7220392, 7220393, 7220394 Original log message: Adding full bibliography for 7220392--7220394.cif. |
7220392.cif |
| 135846 | 2015-05-09 | cif/ Adding structures of 7220392, 7220393, 7220394 via cif-deposit CGI script. |
7220392.cif |
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Users of the data should acknowledge the original authors of the
structural data.