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Information card for entry 1550926
Preview
| Coordinates | 1550926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | AzaEx2Cage-Pycho |
|---|---|
| Formula | C114 H83 Br0.5 F33 N13 O2 P5.5 |
| Calculated formula | C114 H83 Br0.5 F33 N13 O2 P5.5 |
| 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 | 27.3248 ± 0.0015 Å |
| b | 42.161 ± 0.003 Å |
| c | 24.16 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 27833 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.2586 |
| Residual factor for significantly intense reflections | 0.1608 |
| Weighted residual factors for significantly intense reflections | 0.3936 |
| Weighted residual factors for all reflections included in the refinement | 0.4438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.245 |
| 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. |
1550926.cif |
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Users of the data should acknowledge the original authors of the
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