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Information card for entry 4501668
Preview
| Coordinates | 4501668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (2R)-1-(9H-Carbazol-4-yloxy)-3-[(2-{[2-(methyloxy)phenyl]oxy}ethyl)amino]- 2-propanol, phosphoric acid salt, hemihydrate [ratio 1:1:0.5(H2O)] |
|---|---|
| Formula | C24 H30 N2 O8.5 P |
| Calculated formula | C24 H30 N2 O8.5 P |
| Title of publication | Isomorphism, Disorder, and Hydration in the Crystal Structures of Racemic and Single-Enantiomer Carvedilol Phosphate |
| Authors of publication | Vogt, Frederick G.; Copley, Royston C. B.; Mueller, Ronald L.; Spoors, Grant P.; Cacchio, Thomas N.; Carlton, Robert A.; Katrincic, Lee M.; Kennady, James M.; Parsons, Simon; Chetina, Olga V. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 6 |
| Pages of publication | 2713 |
| a | 26.7679 ± 0.0006 Å |
| b | 12.2428 ± 0.0003 Å |
| c | 16.2786 ± 0.0004 Å |
| α | 90° |
| β | 108.149 ± 0.0012° |
| γ | 90° |
| Cell volume | 5069.3 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4501668.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501668.cif |
| 36018 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501668 via cif-deposit CGI script. |
4501668.cif |
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Users of the data should acknowledge the original authors of the
structural data.