C[tripleC—H systems as hydrogen-bond donors and acceptors: <i>trans</i>-1,2-diethynylcyclohexane-1,2-diol and <i>trans</i>-1,4-diprop-2-ynylcyclohexane-1,4-diol monohydrate
Authors of publication
Hamann, Uwe; Kämpen, Jan; Bubenitschek, Peter; Hopf, Henning; Jones, Peter G.
Journal of publication
Acta Crystallographica Section C
Year of publication
2006
Journal volume
62
Journal issue
4
Pages of publication
o178 - o181
a
10.563 ± 0.003 Å
b
23.839 ± 0.006 Å
c
7.025 ± 0.002 Å
α
90°
β
93.46 ± 0.02°
γ
90°
Cell volume
1765.8 ± 0.8 Å3
Cell temperature
153 ± 2 K
Ambient diffraction temperature
153 ± 2 K
Number of distinct elements
3
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.0682
Residual factor for significantly intense reflections
0.0446
Weighted residual factors for significantly intense reflections
0.0896
Weighted residual factors for all reflections included in the refinement
0.103
Goodness-of-fit parameter for all reflections included in the refinement