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
9.932 ± 0.003 Å
b
11.2 ± 0.01 Å
c
14.08 ± 0.01 Å
α
74.1 ± 0.05°
β
75.54 ± 0.04°
γ
71.53 ± 0.03°
Cell volume
1405.8 ± 1.7 Å3
Cell temperature
298 K
Ambient diffraction temperature
298 K
Number of distinct elements
4
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.061
Residual factor for significantly intense reflections
0.061
Weighted residual factors for all reflections
0.089
Weighted residual factors for significantly intense reflections
0.089
Goodness-of-fit parameter for all reflections
0.281
Goodness-of-fit parameter for significantly intense reflections
