Information card for entry 7057863
| Chemical name |
(R)-deschloroketamine |
| Formula |
C13 H18 Cl N O |
| Calculated formula |
C13 H18 Cl N O |
| Title of publication |
Synthesis, absolute configuration and in vitro cytotoxicity of deschloroketamine enantiomers: rediscovered and abused dissociative anaesthetic |
| Authors of publication |
Jurásek, Bronislav; Králík, František; Rimpelová, Silvie; Čejka, Jan; Setnička, Vladimír; Ruml, Tomáš; Kuchař, Martin; Kohout, Michal |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2018 |
| Journal volume |
42 |
| Journal issue |
24 |
| Pages of publication |
19360 |
| a |
6.5245 ± 0.0003 Å |
| b |
13.124 ± 0.0005 Å |
| c |
15.065 ± 0.0006 Å |
| α |
90° |
| β |
91.441 ± 0.001° |
| γ |
90° |
| Cell volume |
1289.57 ± 0.09 Å3 |
| Cell temperature |
180 K |
| Ambient diffraction temperature |
180 K |
| Number of distinct elements |
5 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0266 |
| Residual factor for significantly intense reflections |
0.0261 |
| Weighted residual factors for all reflections |
0.0698 |
| Weighted residual factors for significantly intense reflections |
0.0689 |
| Weighted residual factors for all reflections included in the refinement |
0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.9997 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7057863.html
