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Information card for entry 1550924
Preview
| Coordinates | 1550924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cage-tfa |
|---|---|
| Formula | C45 H30 F9 N6 O6 |
| Calculated formula | C45 H30 F9 N6 O6 |
| Title of publication | Guest recognition enhanced by lateral interactions |
| Authors of publication | Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 13.6264 ± 0.0005 Å |
| b | 30.4112 ± 0.0012 Å |
| c | 14.0126 ± 0.0005 Å |
| α | 90° |
| β | 100.631 ± 0.002° |
| γ | 90° |
| Cell volume | 5707.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1155 |
| Residual factor for significantly intense reflections | 0.1063 |
| Weighted residual factors for significantly intense reflections | 0.3529 |
| Weighted residual factors for all reflections included in the refinement | 0.368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.644 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214725 (current) | 2019-04-24 | cif/ Adding structures of 1550924, 1550925, 1550926, 1550927, 1550928 via cif-deposit CGI script. |
1550924.cif |
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Users of the data should acknowledge the original authors of the
structural data.