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Information card for entry 1563868
Preview
| Coordinates | 1563868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H76 |
|---|---|
| Calculated formula | C81 H76 |
| Title of publication | Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs |
| Authors of publication | Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 17.0179 ± 0.0016 Å |
| b | 18.63 ± 0.002 Å |
| c | 38.286 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12138 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1683 |
| Residual factor for significantly intense reflections | 0.099 |
| Weighted residual factors for significantly intense reflections | 0.2441 |
| Weighted residual factors for all reflections included in the refinement | 0.2878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266881 (current) | 2021-07-02 | cif/ Adding structures of 1563860, 1563861, 1563862, 1563863, 1563864, 1563865, 1563866, 1563867, 1563868 via cif-deposit CGI script. |
1563868.cif |
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Users of the data should acknowledge the original authors of the
structural data.