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Information card for entry 1534133
Preview
Coordinates | 1534133.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C102 H130 B2 K3 N6 O18 |
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Calculated formula | C102 H130 B2 K3 N6 O18 |
SMILES | [K]1234567[O]8CC[N]97CC[O]1CC[O]4CC[N]5(CC[O]3CC8)CC[O]2CC[O]6CC9.c12c3c4c5c(c6c7c8c(c9c%10c(ccc9)cc9cccc%11c%12c(B8c%10c9%11)c(B47)c1c1ccccc%121)c1ccccc61)cccc5cc3ccc2.[K]1234567[O]8CC[O]4CC[N]47CC[O]6CC[O]2CC[N]5(CC[O]1CC[O]3CC4)CC8.[K]1234567[O]8CC[N]91CC[O]3CC[O]2CC[N]4(CC[O]5CC8)CC[O]7CC[O]6CC9 |
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 | 15.4324 ± 0.0012 Å |
b | 29.3994 ± 0.0018 Å |
c | 21.2075 ± 0.0013 Å |
α | 90° |
β | 97.632 ± 0.002° |
γ | 90° |
Cell volume | 9536.7 ± 1.1 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.106 |
Residual factor for significantly intense reflections | 0.088 |
Weighted residual factors for significantly intense reflections | 0.2196 |
Weighted residual factors for all reflections included in the refinement | 0.2351 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1534133.html
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