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Information card for entry 4129296
Preview
| Coordinates | 4129296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2_c60 |
|---|---|
| Formula | C172 H144 S8 |
| Calculated formula | C172 H144 S8 |
| Title of publication | Synthesis, structures, and photophysical properties of π-expanded oligothiophene 8-mers and their Saturn-like Cāā complexes. |
| Authors of publication | Shimizu, Hideyuki; Cojal González, José D; Hasegawa, Masashi; Nishinaga, Tohru; Haque, Tahmina; Takase, Masayoshi; Otani, Hiroyuki; Rabe, Jürgen P; Iyoda, Masahiko |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 11 |
| Pages of publication | 3877 - 3885 |
| a | 17.654 ± 0.005 Å |
| b | 17.88 ± 0.005 Å |
| c | 35.319 ± 0.01 Å |
| α | 80.634 ± 0.003° |
| β | 77.456 ± 0.003° |
| γ | 61.448 ± 0.003° |
| Cell volume | 9536 ± 5 Å3 |
| Cell temperature | 108 ± 2 K |
| Ambient diffraction temperature | 108 ± 2 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 | 0.2128 |
| Residual factor for significantly intense reflections | 0.1137 |
| Weighted residual factors for significantly intense reflections | 0.2811 |
| Weighted residual factors for all reflections included in the refinement | 0.353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240045 (current) | 2019-11-25 | cif/ Adding structures of 4129296 via cif-deposit CGI script. |
4129296.cif |
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Users of the data should acknowledge the original authors of the
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