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Information card for entry 1551167
Preview
| Coordinates | 1551167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H40 O16 |
|---|---|
| Calculated formula | C33 H24 O12 |
| Title of publication | Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance |
| Authors of publication | Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 22.67 ± 0.003 Å |
| b | 22.67 ± 0.003 Å |
| c | 16.778 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7467.5 ± 1.9 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 190 |
| Hermann-Mauguin space group symbol | P -6 2 c |
| Hall space group symbol | P -6c -2c |
| Residual factor for all reflections | 0.0897 |
| Residual factor for significantly intense reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.2186 |
| Weighted residual factors for all reflections included in the refinement | 0.236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215593 (current) | 2019-05-30 | cif/ Adding structures of 1551166, 1551167 via cif-deposit CGI script. |
1551167.cif |
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Users of the data should acknowledge the original authors of the
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