Crystal studies of musk compounds. VII. Molecular structures of 1-<i>tert</i>-butyl-2,4,6-trimethyl-3,5-dinitrobenzene, C~13~H~18~N~2~O~4~ (2), and 1-bromo-3,5-dimethyl-2,4,6-trinitrobenzene, C~8~H~6~BrN~3~O~6~ (4)
Authors of publication
De Ridder, Dirk J.A.; Fraanje, Jan; Schenk, Henk
Journal of publication
Acta Crystallographica Section C
Year of publication
1994
Journal volume
50
Journal issue
5
Pages of publication
749 - 753
a
5.4224 ± 0.0009 Å
b
8.975 ± 0.001 Å
c
12.094 ± 0.002 Å
α
77.82 ± 0.009°
β
84.19 ± 0.02°
γ
76.46 ± 0.01°
Cell volume
558.5 ± 0.15 Å3
Cell temperature
298 K
Ambient diffraction temperature
298 K
Number of distinct elements
5
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.073
Residual factor for significantly intense reflections
0.073
Weighted residual factors for all reflections
0.095
Weighted residual factors for significantly intense reflections
0.095
Goodness-of-fit parameter for all reflections
0.286
Goodness-of-fit parameter for significantly intense reflections
