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 |
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https://www.crystallography.net/7130506.html
