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Information card for entry 7215958
Preview
| Coordinates | 7215958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Felodipine : 4,4'-bipyridine (2:1) |
|---|---|
| Formula | C46 H46 Cl4 N4 O8 |
| Calculated formula | C46 H46 Cl4 N4 O8 |
| SMILES | c1c(Cl)c(c(C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OC)cc1)Cl.n1ccc(c2ccncc2)cc1.C1(=C(C(C(=C(N1)C)C(=O)OCC)c1cccc(c1Cl)Cl)C(=O)OC)C |
| Title of publication | Polymorphism of felodipine co-crystals with 4,4′-bipyridine |
| 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 | 2014 |
| Journal volume | 16 |
| Journal issue | 29 |
| Pages of publication | 6603 |
| a | 10.4207 ± 0.0009 Å |
| b | 10.6061 ± 0.0009 Å |
| c | 11.2328 ± 0.0009 Å |
| α | 67.167 ± 0.004° |
| β | 73.749 ± 0.004° |
| γ | 81.109 ± 0.005° |
| Cell volume | 1097 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1065 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.1928 |
| Weighted residual factors for all reflections included in the refinement | 0.2191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215958.cif |
| 180490 | 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 7/21/59. |
7215958.cif |
| 119417 | 2014-07-07 | cif/ Updating files of 7215957, 7215958, 7215959 Original log message: Adding full bibliography for 7215957--7215959.cif. |
7215958.cif |
| 113862 | 2014-05-16 | cif/ Adding structures of 7215957, 7215958, 7215959 via cif-deposit CGI script. |
7215958.cif |
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