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Information card for entry 7124407
Preview
| Coordinates | 7124407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H42 N4 O6 |
|---|---|
| Calculated formula | C45 H42 N4 O6 |
| Title of publication | Chirality Transfer in a Cage Controls the Clockwise / Anticlockwise Propeller Arrangement of the tris(2-pyridylmethyl)amine Ligand |
| Authors of publication | Martinez, Alexandre; Qiu, Gege; Colomban, Cédric; Giorgi, Michel; Vanthuyne, Nicolas |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 10.0281 ± 0.0001 Å |
| b | 18.2669 ± 0.0002 Å |
| c | 20.2604 ± 0.0002 Å |
| α | 90° |
| β | 98.473 ± 0.001° |
| γ | 90° |
| Cell volume | 3670.84 ± 0.07 Å3 |
| Cell temperature | 253 ± 0.1 K |
| Ambient diffraction temperature | 253 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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 |
|---|---|---|---|
| 220575 (current) | 2019-10-31 | cif/ Adding structures of 7124407, 7124408, 7124409 via cif-deposit CGI script. |
7124407.cif |
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Users of the data should acknowledge the original authors of the
structural data.