Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Authors of publication
Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Journal of publication
Chemical Science
Year of publication
2010
Journal volume
1
Journal issue
4
Pages of publication
461
a
20.3965 ± 0.0016 Å
b
15.7884 ± 0.0013 Å
c
17.1574 ± 0.0014 Å
α
90°
β
90°
γ
90°
Cell volume
5525.2 ± 0.8 Å3
Cell temperature
90 ± 2 K
Ambient diffraction temperature
90 ± 2 K
Number of distinct elements
4
Space group number
56
Hermann-Mauguin space group symbol
P c c n
Hall space group symbol
-P 2ab 2ac
Residual factor for all reflections
0.0691
Residual factor for significantly intense reflections
0.0568
Weighted residual factors for significantly intense reflections
0.1251
Weighted residual factors for all reflections included in the refinement
0.1304
Goodness-of-fit parameter for all reflections included in the refinement
