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Information card for entry 4037497
Preview
| Coordinates | 4037497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 Br2 |
|---|---|
| Calculated formula | C28 H20 Br2 |
| SMILES | Brc1cc2C(=C3C(=CC=C(Br)C3)c2cc1)[C@@H]1[C@H]([C@@H](c2ccc3ccccc3c12)C)C |
| Title of publication | Asymmetric Synthesis of Second-Generation Light-Driven Molecular Motors. |
| Authors of publication | van Leeuwen, Thomas; Danowski, Wojciech; Otten, Edwin; Wezenberg, Sander J.; Feringa, Ben L. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 10 |
| Pages of publication | 5027 - 5033 |
| a | 7.2152 ± 0.0003 Å |
| b | 14.0726 ± 0.0007 Å |
| c | 20.7911 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2111.06 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.017 |
| Residual factor for significantly intense reflections | 0.0157 |
| Weighted residual factors for significantly intense reflections | 0.0392 |
| Weighted residual factors for all reflections included in the refinement | 0.0395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236252 (current) | 2019-11-24 | cif/ Adding structures of 4037497 via cif-deposit CGI script. |
4037497.cif |
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Users of the data should acknowledge the original authors of the
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