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Information card for entry 7064373
Preview
| Coordinates | 7064373.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H56 B20 O4 |
|---|---|
| Calculated formula | C50 H56 B20 O4 |
| Title of publication | An o-carborane-based naphthalene macrocyclic arene: dual-state emission and C60 recognition |
| Authors of publication | Chen, Wenlong; Yuan, Shuai; Lin, Caixia; Yuan, Yaofeng |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 16 |
| Pages of publication | 6989 - 6995 |
| a | 11.3775 ± 0.0006 Å |
| b | 11.5862 ± 0.0007 Å |
| c | 25.9327 ± 0.0006 Å |
| α | 91.335 ± 0.003° |
| β | 99.372 ± 0.003° |
| γ | 118.66 ± 0.006° |
| Cell volume | 2939.3 ± 0.3 Å3 |
| Cell temperature | 296.15 ± 0.1 K |
| Ambient diffraction temperature | 296.15 ± 0.1 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 | 0.1853 |
| Residual factor for significantly intense reflections | 0.1054 |
| Weighted residual factors for significantly intense reflections | 0.2927 |
| Weighted residual factors for all reflections included in the refinement | 0.3545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.