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Information card for entry 1558426
Preview
| Coordinates | 1558426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H20 |
|---|---|
| Calculated formula | C34 H20 |
| SMILES | c12c3c(c4c(cccc4)c1c1c(ccc4c1cccc4)c1c2cccc1)ccc1c3cccc1 |
| Title of publication | Build-Up of Double Carbohelicenes Using Nitroarenes: Dual Role of the Nitro Functionality as Activation and Leaving Group |
| Authors of publication | Zhou, Fulin; Zhou, Fujian; Su, Rongchuan; Yang, Yudong; You, Jingsong |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 11.0876 ± 0.0003 Å |
| b | 20.5912 ± 0.0004 Å |
| c | 19.1254 ± 0.0004 Å |
| α | 90° |
| β | 96.758 ± 0.002° |
| γ | 90° |
| Cell volume | 4336.12 ± 0.17 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 2 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1342 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253463 (current) | 2020-06-26 | cif/ Adding structures of 1558426, 1558427 via cif-deposit CGI script. |
1558426.cif |
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Users of the data should acknowledge the original authors of the
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