Cross-Conjugated Systems Based On An (E)-Hexa-3-en-1,5-diyne-3,4-diyl Skeleton: Spectroscopic and Spectroelectrochemical Investigations.
Authors of publication
Gluyas, Josef B. G.; Manici, Valentina; Gückel, Simon; Vincent, Kevin B.; Yufit, Dmitry S.; Howard, Judith A. K.; Skelton, Brian W.; Beeby, Andrew; Kaupp, Martin; Low, Paul J.
Journal of publication
The Journal of organic chemistry
Year of publication
2015
Journal volume
80
Journal issue
22
Pages of publication
11501 - 11512
a
11.3075 ± 0.0002 Å
b
23.9449 ± 0.0003 Å
c
11.5539 ± 0.0002 Å
α
90°
β
111.656 ± 0.002°
γ
90°
Cell volume
2907.49 ± 0.09 Å3
Cell temperature
250 ± 2 K
Ambient diffraction temperature
250 ± 2 K
Number of distinct elements
5
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
0.073
Residual factor for significantly intense reflections
0.0598
Weighted residual factors for significantly intense reflections
0.1817
Weighted residual factors for all reflections included in the refinement
0.1995
Goodness-of-fit parameter for all reflections included in the refinement
