Information card for entry 7130506
Chemical name |
dihept-C70H6 |
Formula |
C218 H118 N20 |
Calculated formula |
C211 H110 N20 |
Title of publication |
Capturing Nonclassical C70 with Double Heptagons in Low-Pressure Combustion |
Authors of publication |
Xie, Fang-Fang; Chen, Zuo-Chang; Zhang, Min; Xie, Xiao-Ming; Chen, Ling-Fang; Tian, Hanrui; Deng, Shun-Liu; Xie, Su-Yuan; Zheng, Lansun |
Journal of publication |
Chemical Communications |
Year of publication |
2022 |
a |
14.8934 ± 0.0004 Å |
b |
17.2624 ± 0.0005 Å |
c |
30.2493 ± 0.0009 Å |
α |
78.553 ± 0.003° |
β |
77.136 ± 0.002° |
γ |
70.866 ± 0.003° |
Cell volume |
7096.1 ± 0.4 Å3 |
Cell temperature |
99.99 ± 0.1 K |
Ambient diffraction temperature |
99.99 ± 0.1 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 |
0.1265 |
Residual factor for significantly intense reflections |
0.0809 |
Weighted residual factors for significantly intense reflections |
0.2139 |
Weighted residual factors for all reflections included in the refinement |
0.2474 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.021 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7130506.html