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
12.915 ± 0.0008 Å
b
45.098 ± 0.003 Å
c
22.5681 ± 0.0014 Å
α
90°
β
98.67 ± 0.001°
γ
90°
Cell volume
12994.4 ± 1.4 Å3
Cell temperature
90 ± 2 K
Ambient diffraction temperature
90 ± 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
0.1435
Residual factor for significantly intense reflections
0.0787
Weighted residual factors for significantly intense reflections
0.1695
Weighted residual factors for all reflections included in the refinement
0.1932
Goodness-of-fit parameter for all reflections included in the refinement
