Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon
Authors of publication
Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.
Journal of publication
CrystEngComm
Year of publication
2004
Journal volume
6
Journal issue
32
Pages of publication
184
a
5.9008 ± 0.0005 Å
b
10.0652 ± 0.0008 Å
c
11.6577 ± 0.0009 Å
α
90°
β
102.919 ± 0.003°
γ
90°
Cell volume
674.86 ± 0.09 Å3
Cell temperature
120 ± 2 K
Ambient diffraction temperature
120 ± 2 K
Number of distinct elements
2
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.073
Residual factor for significantly intense reflections
0.0465
Weighted residual factors for significantly intense reflections
0.0827
Weighted residual factors for all reflections included in the refinement
0.0875
Goodness-of-fit parameter for all reflections included in the refinement
