Crystal structure of methyl 4-(3,5-ditrifluoromethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate — water (2/1), C22H21F6NO3
Authors of publication
Chen, Liyan
Journal of publication
Zeitschrift für Kristallographie - New Crystal Structures
Year of publication
2018
Journal volume
233
Journal issue
5
Pages of publication
933 - 934
a
14.849 ± 0.004 Å
b
10.497 ± 0.003 Å
c
28.694 ± 0.007 Å
α
90°
β
97.682 ± 0.005°
γ
90°
Cell volume
4432 ± 2 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
296.15 K
Number of distinct elements
5
Space group number
15
Hermann-Mauguin space group symbol
C 1 2/c 1
Hall space group symbol
-C 2yc
Residual factor for all reflections
0.1379
Residual factor for significantly intense reflections
0.0736
Weighted residual factors for significantly intense reflections
0.2073
Weighted residual factors for all reflections included in the refinement
0.2405
Goodness-of-fit parameter for all reflections included in the refinement
