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Information card for entry 1558427
Preview
| Coordinates | 1558427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H18 |
|---|---|
| Calculated formula | C34 H18 |
| SMILES | c12c3c4c5ccccc5c5c3c3c(c6c5cccc6)cccc3c2cccc1c1c4cccc1 |
| 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 | 7.8468 ± 0.0006 Å |
| b | 23.408 ± 0.002 Å |
| c | 11.3681 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2088.1 ± 0.3 Å3 |
| Cell temperature | 292.2 ± 0.5 K |
| Ambient diffraction temperature | 292.2 ± 0.5 K |
| Number of distinct elements | 2 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.092 |
| Residual factor for significantly intense reflections | 0.082 |
| Weighted residual factors for significantly intense reflections | 0.2225 |
| Weighted residual factors for all reflections included in the refinement | 0.23 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| 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. |
1558427.cif |
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