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Information card for entry 1566925
Preview
| Coordinates | 1566925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C114 H108 O12 |
|---|---|
| Calculated formula | C114 H108 O12 |
| Title of publication | Cagearenes: synthesis, characterization, and application for programmed vapor release |
| Authors of publication | Fang, Shuai; Wang, Mengbin; Wu, Yating; Guo, Qing-Hui; Li, Errui; Li, Hao; Huang, Feihe |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 13.898 ± 0.004 Å |
| b | 19.031 ± 0.006 Å |
| c | 24.191 ± 0.008 Å |
| α | 112.073 ± 0.013° |
| β | 103.948 ± 0.014° |
| γ | 93.107 ± 0.01° |
| Cell volume | 5680 ± 3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0799 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275082 (current) | 2022-05-06 | cif/ Adding structures of 1566922, 1566923, 1566924, 1566925 via cif-deposit CGI script. |
1566925.cif |
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Users of the data should acknowledge the original authors of the
structural data.