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Information card for entry 1563860
Preview
| Coordinates | 1563860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H20 Br2 |
|---|---|
| Calculated formula | C30 H20 Br2 |
| 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 | 11.8475 ± 0.0008 Å |
| b | 7.3631 ± 0.0004 Å |
| c | 12.899 ± 0.0008 Å |
| α | 90° |
| β | 101.211 ± 0.003° |
| γ | 90° |
| Cell volume | 1103.76 ± 0.12 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 | 0.0395 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.32 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1563860.cif |
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Users of the data should acknowledge the original authors of the
structural data.