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Information card for entry 2018134
Preview
| Coordinates | 2018134.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-(9<i>H</i>-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol hemihydrate |
|---|---|
| Formula | C24 H27 N2 O4.5 |
| Calculated formula | C24 H26.844 N2 O4.5 |
| Title of publication | 1-(9<i>H</i>-Carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol hemihydrate: a carvedilol solvatomorph |
| Authors of publication | Díaz, Fernando; Benassi, Andrés; Quintero, Mariano; Polla, Griselda; Freire, Eleonora; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | o222 - o225 |
| a | 13.55 ± 0.003 Å |
| b | 16.78 ± 0.003 Å |
| c | 19.15 ± 0.004 Å |
| α | 90° |
| β | 94.36 ± 0.03° |
| γ | 90° |
| Cell volume | 4341.5 ± 1.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.1 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018134.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018134.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018134.cif |
| 22951 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018134 via cif-deposit CGI script. |
2018134.cif |
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Users of the data should acknowledge the original authors of the
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