Information card for entry 7712615
Formula |
C20 H12 N2 |
Calculated formula |
C20 H12 N2 |
SMILES |
N#Cc1cc(c2c(c3cc(C#N)ccc3)cccc2)ccc1 |
Title of publication |
Conductance of <i>o</i>-carborane-based wires with different substitution patterns. |
Authors of publication |
Xu, Shi-Nuo; Zheng, Yan; Ye, Jing-Yao; Chen, Zhong-Yang; Yan, Jian-Feng; Geng, Yan-Hou; Hong, Wenjing; Yuan, Yao-Feng |
Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
Year of publication |
2023 |
a |
9.183 ± 0.006 Å |
b |
9.523 ± 0.008 Å |
c |
10.047 ± 0.009 Å |
α |
99.63 ± 0.04° |
β |
116.1 ± 0.03° |
γ |
98.13 ± 0.04° |
Cell volume |
754.6 ± 1.1 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
3 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0785 |
Residual factor for significantly intense reflections |
0.0439 |
Weighted residual factors for significantly intense reflections |
0.109 |
Weighted residual factors for all reflections included in the refinement |
0.1225 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7712615.html