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Information card for entry 1555874
Preview
| Coordinates | 1555874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H138 N36 O51 |
|---|---|
| Calculated formula | C66 H73 N36 O21 |
| Title of publication | Mono- and Dihydroxylated Symmetrical Octamethylcucurbiturils and Allylated Derivatives. |
| Authors of publication | Shen, Fang-Fang; Chen, Kai; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Cong, Hang |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 21 |
| Pages of publication | 5544 - 5547 |
| a | 12.4005 ± 0.0017 Å |
| b | 12.7258 ± 0.0018 Å |
| c | 34.039 ± 0.005 Å |
| α | 83.66 ± 0.003° |
| β | 83.95 ± 0.003° |
| γ | 82.86 ± 0.004° |
| Cell volume | 5274.4 ± 1.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.1333 |
| Residual factor for significantly intense reflections | 0.0979 |
| Weighted residual factors for significantly intense reflections | 0.2804 |
| Weighted residual factors for all reflections included in the refinement | 0.3018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239199 (current) | 2019-11-24 | cif/ Adding structures of 1555874 via cif-deposit CGI script. |
1555874.cif |
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Users of the data should acknowledge the original authors of the
structural data.