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Information card for entry 4038631
Preview
| Coordinates | 4038631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H26 Cl2 |
|---|---|
| Calculated formula | C42 H26 Cl2 |
| Title of publication | Synthesis of Core-Modified Third-Generation Light-Driven Molecular Motors. |
| Authors of publication | Berrocal, Jose Augusto; Pfeifer, Lukas; Heijnen, Dorus; Feringa, Ben L. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 15.4794 ± 0.0004 Å |
| b | 11.3565 ± 0.0003 Å |
| c | 17.3278 ± 0.0004 Å |
| α | 90° |
| β | 100.282 ± 0.001° |
| γ | 90° |
| Cell volume | 2997.17 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254709 (current) | 2020-08-01 | cif/ Adding structures of 4038631 via cif-deposit CGI script. |
4038631.cif |
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Users of the data should acknowledge the original authors of the
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