Crystal structure and absolute configuration of (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-butyl-2-[(<i>S</i>)-3-(2-chloro-4-nitrobenzamido)-2-hydroxypropyl]decahydroisoquinoline-3-carboxamide and (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-<i>N</i>-<i>tert</i>-butyl-2-{(<i>S</i>)-2-[(<i>S</i>)-1-(2-chloro-4-nitrobenzoyl)pyrrolidin-2-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxamide
Authors of publication
Maxson, Tucker; Bertke, Jeffery A.; Gray, Danielle L.; Mitchell, Douglas A.
Journal of publication
Acta Crystallographica Section E
Year of publication
2015
Journal volume
71
Journal issue
11
Pages of publication
1401 - 1407
a
18.8408 ± 0.0007 Å
b
20.2263 ± 0.0008 Å
c
6.7923 ± 0.0003 Å
α
90°
β
90°
γ
90°
Cell volume
2588.41 ± 0.18 Å3
Cell temperature
193 ± 2 K
Ambient diffraction temperature
193 ± 2 K
Number of distinct elements
5
Space group number
18
Hermann-Mauguin space group symbol
P 21 21 2
Hall space group symbol
P 2 2ab
Residual factor for all reflections
0.0407
Residual factor for significantly intense reflections
0.0351
Weighted residual factors for significantly intense reflections
0.0819
Weighted residual factors for all reflections included in the refinement
0.0854
Goodness-of-fit parameter for all reflections included in the refinement
