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
6.4341 ± 0.0007 Å
b
20.28 ± 0.002 Å
c
11.0377 ± 0.0012 Å
α
90°
β
105.248 ± 0.001°
γ
90°
Cell volume
1389.5 ± 0.3 Å3
Cell temperature
168 ± 2 K
Ambient diffraction temperature
168 ± 2 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
0.0357
Residual factor for significantly intense reflections
0.0323
Weighted residual factors for significantly intense reflections
0.0799
Weighted residual factors for all reflections included in the refinement
0.0824
Goodness-of-fit parameter for all reflections included in the refinement
