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Information card for entry 1577382
Preview
| Coordinates | 1577382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H26 Br N O |
|---|---|
| Calculated formula | C34 H26 Br N O |
| Title of publication | Organocatalytic Asymmetric Synthesis of Atropisomeric Tetraarylethenes: Design, Properties, and Applications |
| Authors of publication | An, Mei; Lu, Chuan-Jun; Xie, Fei; Sun, Yin-Jian; Sun, Zhaofeng; Xi, Long-Long; Liu, Ren-Rong |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 10.0178 ± 0.0001 Å |
| b | 10.0178 ± 0.0001 Å |
| c | 53.4159 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5360.62 ± 0.18 Å3 |
| Cell temperature | 199.99 ± 0.1 K |
| Ambient diffraction temperature | 199.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0543 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.135 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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.