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
11.9294 ± 0.0005 Å
b
18.4084 ± 0.0008 Å
c
20.7414 ± 0.0009 Å
α
114.657 ± 0.002°
β
105.431 ± 0.002°
γ
90.806 ± 0.002°
Cell volume
3949.4 ± 0.3 Å3
Cell temperature
90 ± 2 K
Ambient diffraction temperature
90 ± 2 K
Number of distinct elements
5
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0948
Residual factor for significantly intense reflections
0.0542
Weighted residual factors for significantly intense reflections
0.1301
Weighted residual factors for all reflections included in the refinement
0.1423
Goodness-of-fit parameter for all reflections included in the refinement
