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Information card for entry 1555873
Preview
| Coordinates | 1555873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H76 Cd2 Cl8 N24 O23 |
|---|---|
| Calculated formula | C44 H50 Cd2 Cl8 N24 O13 |
| 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 | 12.5479 ± 0.0018 Å |
| b | 12.643 ± 0.002 Å |
| c | 13.1867 ± 0.0019 Å |
| α | 62.564 ± 0.003° |
| β | 77.54 ± 0.003° |
| γ | 80.141 ± 0.004° |
| Cell volume | 1806.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1209 |
| Residual factor for significantly intense reflections | 0.0814 |
| Weighted residual factors for significantly intense reflections | 0.2226 |
| Weighted residual factors for all reflections included in the refinement | 0.243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239198 (current) | 2019-11-24 | cif/ Adding structures of 1555873 via cif-deposit CGI script. |
1555873.cif |
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