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Information card for entry 1566923
Preview
| Coordinates | 1566923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C123 H114 O12 |
|---|---|
| Calculated formula | C123 H114 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 | 25.7782 ± 0.0007 Å |
| b | 18.2534 ± 0.0004 Å |
| c | 27.4389 ± 0.001 Å |
| α | 90° |
| β | 117.813 ± 0.002° |
| γ | 90° |
| Cell volume | 11419.5 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 192.99 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2533 |
| Residual factor for significantly intense reflections | 0.112 |
| Weighted residual factors for significantly intense reflections | 0.3053 |
| Weighted residual factors for all reflections included in the refinement | 0.3993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1566923.cif |
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Users of the data should acknowledge the original authors of the
structural data.