Information card for entry 1534132
| Formula |
C96 H118 B2 O4 |
| Calculated formula |
C96 H118 B2 O4 |
| SMILES |
B12c3c4c5ccccc5c5c3B3c6c(c7ccccc7c(c16)c1c6c2c2c(cc6c(cc1)OCCCCCCCCCCCC)c(ccc42)OCCCCCCCCCCCC)c1ccc(c2cc4c(c3c12)c5ccc4OCCCCCCCCCCCC)OCCCCCCCCCCCC |
| 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 |
11.769 ± 0.012 Å |
| b |
14.134 ± 0.013 Å |
| c |
23.62 ± 0.02 Å |
| α |
84.13 ± 0.03° |
| β |
87.54 ± 0.02° |
| γ |
84.78 ± 0.02° |
| Cell volume |
3890 ± 6 Å3 |
| Cell temperature |
98 ± 2 K |
| Ambient diffraction temperature |
98 ± 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 |
0.1791 |
| Residual factor for significantly intense reflections |
0.1016 |
| Weighted residual factors for significantly intense reflections |
0.2431 |
| Weighted residual factors for all reflections included in the refinement |
0.3144 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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