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Information card for entry 7129180
Preview
| Coordinates | 7129180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H67 N3 O13 S |
|---|---|
| Calculated formula | C69 H67 N3 O13 S |
| Title of publication | Bio-inspired AIE pillar[5]arene probe with multiple binding sites to discriminate alkanediamines |
| Authors of publication | Zhou, Yibin; Tang, Hao; Li, Zhao-Hui; Xu, Linxian; Wang, Lingyun; Cao, Derong |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 12.7652 ± 0.0009 Å |
| b | 16.0114 ± 0.0013 Å |
| c | 16.5435 ± 0.0012 Å |
| α | 75.891 ± 0.002° |
| β | 82.879 ± 0.002° |
| γ | 68.192 ± 0.002° |
| Cell volume | 3042.5 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1954 |
| Residual factor for significantly intense reflections | 0.0932 |
| Weighted residual factors for significantly intense reflections | 0.1741 |
| Weighted residual factors for all reflections included in the refinement | 0.2271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270210 (current) | 2021-11-03 | cif/ Adding structures of 7129180 via cif-deposit CGI script. |
7129180.cif |
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Users of the data should acknowledge the original authors of the
structural data.