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Information card for entry 1534131
Preview
| Coordinates | 1534131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1534131.cif |
| 175928 | 2016-02-05 | cif/ Updating files of 1534131, 1534132, 1534133, 1534134 Original log message: Adding full bibliography for 1534131--1534134.cif. |
1534131.cif |
| 160593 | 2015-10-07 | cif/ Adding structures of 1534131, 1534132, 1534133, 1534134 via cif-deposit CGI script. |
1534131.cif |
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Users of the data should acknowledge the original authors of the
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