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Information card for entry 7202280
Preview
| Coordinates | 7202280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cinacalcet HCl acetic acid solvate |
|---|---|
| Formula | C24 H27 Cl F3 N O2 |
| Calculated formula | C24 H27 Cl F3 N O2 |
| Title of publication | Solid state characterisation of four solvates of R-cinacalcet hydrochloride |
| Authors of publication | Braun, Doris E.; Kahlenberg, Volker; Gelbrich, Thomas; Ludescher, Johannes; Griesser, Ulrich J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 11 |
| Pages of publication | 1617 |
| a | 7.5434 ± 0.0008 Å |
| b | 18.575 ± 0.002 Å |
| c | 16.7756 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2350.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180353 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/22. |
7202280.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202280.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202280.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202280.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.