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Information card for entry 7214235
Preview
| Coordinates | 7214235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H26 N2 O4 |
|---|---|
| Calculated formula | C24 H26 N2 O4 |
| SMILES | c1(cccc2[nH]c3ccccc3c12)OCC(O)CNCCOc1ccccc1OC |
| Title of publication | An insight into carvedilol solid forms: effect of supramolecular interactions on the dissolution profiles |
| Authors of publication | Prado, Livia Deris; Rocha, Helvécio Vinícius Antunes; Resende, Jackson Antônio Lamounier Camargos; Ferreira, Glaucio Braga; de Figuereido Teixeira, Ana Maria Rangel |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 15 |
| Pages of publication | 3168 |
| a | 11.2908 ± 0.0003 Å |
| b | 12.2293 ± 0.0003 Å |
| c | 14.9933 ± 0.0004 Å |
| α | 90° |
| β | 91.389 ± 0.002° |
| γ | 90° |
| Cell volume | 2069.65 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| 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. |
7214235.cif |
| 180473 | 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 7/21/42. |
7214235.cif |
| 108269 | 2014-03-30 | cif/ Adding structures of 7214235, 7214236 via cif-deposit CGI script. |
7214235.cif |
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Users of the data should acknowledge the original authors of the
structural data.