Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide
Authors of publication
Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.
Journal of publication
Acta Crystallographica Section B
Year of publication
1999
Journal volume
55
Journal issue
1
Pages of publication
70 - 77
a
5.668 ± 0.002 Å
b
9.266 ± 0.003 Å
c
8.626 ± 0.002 Å
α
90°
β
90°
γ
90°
Cell volume
453 ± 0.2 Å3
Cell temperature
163 ± 1 K
Ambient diffraction temperature
163 ± 1 K
Number of distinct elements
4
Space group number
19
Hermann-Mauguin space group symbol
P 21 21 21
Hall space group symbol
P 2ac 2ab
Residual factor for all reflections
0.0627
Residual factor for significantly intense reflections
0.0329
Weighted residual factors for all reflections
0.0976
Weighted residual factors for significantly intense reflections
0.0839
Goodness-of-fit parameter for all reflections
1.008
Goodness-of-fit parameter for significantly intense reflections