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Information card for entry 1563864
Preview
| Coordinates | 1563864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H32 B2 O6 |
|---|---|
| Calculated formula | C28 H32 B2 O6 |
| 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 | 10.619 ± 0.0007 Å |
| b | 11.073 ± 0.0008 Å |
| c | 11.442 ± 0.0009 Å |
| α | 88.121 ± 0.003° |
| β | 83.773 ± 0.003° |
| γ | 83.522 ± 0.003° |
| Cell volume | 1328.63 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
1563864.cif |
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Users of the data should acknowledge the original authors of the
structural data.