Information card for entry 1534131
| Formula |
C64 H54 B2 O4 |
| Calculated formula |
C64 H54 B2 O4 |
| SMILES |
O(c1c2cc3c4c5c2c(cc1)c1c2c(c6c7c1B5c1c(c5ccccc5c5c1B7c1c7c6ccc(OCCCC)c7cc6c(OCCCC)ccc5c16)c4ccc3OCCCC)cccc2)CCCC |
| Title of publication |
Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance |
| Authors of publication |
Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro |
| Journal of publication |
Chem. Sci. |
| Year of publication |
2016 |
| Journal volume |
7 |
| Journal issue |
1 |
| Pages of publication |
219 |
| a |
7.553 ± 0.005 Å |
| b |
12.357 ± 0.007 Å |
| c |
12.549 ± 0.008 Å |
| α |
83.18 ± 0.04° |
| β |
74.39 ± 0.02° |
| γ |
84.51 ± 0.04° |
| Cell volume |
1117.6 ± 1.2 Å3 |
| Cell temperature |
103 ± 2 K |
| Ambient diffraction temperature |
103 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1813 |
| Residual factor for significantly intense reflections |
0.0694 |
| Weighted residual factors for significantly intense reflections |
0.1185 |
| Weighted residual factors for all reflections included in the refinement |
0.1597 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.947 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1534131.html
