Information card for entry 2236938
Common name |
D-Nebiviololinium chloride hemihydrate |
Chemical name |
(<i>S</i>,<i>S</i>,<i>S</i>,<i>S</i>)-bis[2-(6-fluoro-3,4- dihydro-2<i>H</i>-1-benzopyran-2-yl)-2-hydroxyethyl]ammonium chloride hemihydrate |
Formula |
C22 H27 Cl F2 N O4.5 |
Calculated formula |
C22 H27 Cl F2 N O4.5 |
Title of publication |
(<i>S</i>,<i>S</i>,<i>S</i>,<i>S</i>)-Nebivolol hydrochloride hemihydrate |
Authors of publication |
Rousselin, Yoann; Bruel, Amelie; Clavel, Alexandre |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
12 |
Pages of publication |
o3352 |
a |
7.5173 ± 0.0003 Å |
b |
8.1495 ± 0.0003 Å |
c |
34.166 ± 0.0011 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2093.09 ± 0.13 Å3 |
Cell temperature |
115 ± 2 K |
Ambient diffraction temperature |
115 ± 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 |
0.0865 |
Residual factor for significantly intense reflections |
0.0719 |
Weighted residual factors for significantly intense reflections |
0.1286 |
Weighted residual factors for all reflections included in the refinement |
0.137 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.272 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2236938.html