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Information card for entry 4035123
Preview
| Coordinates | 4035123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H40 O9 |
|---|---|
| Calculated formula | C76 H40 O9.001 |
| Title of publication | Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives. |
| Authors of publication | Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 17 |
| Pages of publication | 10655 - 10659 |
| a | 13.2455 ± 0.001 Å |
| b | 13.4892 ± 0.0009 Å |
| c | 16.3343 ± 0.0013 Å |
| α | 101.966 ± 0.005° |
| β | 106.648 ± 0.004° |
| γ | 108.546 ± 0.004° |
| Cell volume | 2503.7 ± 0.4 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 | 0.1352 |
| Residual factor for significantly intense reflections | 0.094 |
| Weighted residual factors for significantly intense reflections | 0.3256 |
| Weighted residual factors for all reflections included in the refinement | 0.3533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226609 (current) | 2019-11-11 | cif/ Adding structures of 4035123 via cif-deposit CGI script. |
4035123.cif |
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Users of the data should acknowledge the original authors of the
structural data.