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Information card for entry 7245808
Preview
| Coordinates | 7245808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H92 Ca Cl3 N25 O35 |
|---|---|
| Calculated formula | C42 H60 Ca Cl3 N25 O19 |
| Title of publication | Host-guest inclusion complexes formed between a symmetrical tetrasubstituted cucurbit[6]uril and glycine |
| Authors of publication | Yuan, Shang-Wei; Shan, Pei-Hui; Yang, Mao Xia; Ma, PeiHua; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Tao, Zhu; Xiao, Xin |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 13.001 ± 0.004 Å |
| b | 14.691 ± 0.004 Å |
| c | 21.03 ± 0.006 Å |
| α | 72.765 ± 0.007° |
| β | 76.725 ± 0.007° |
| γ | 68.8 ± 0.007° |
| Cell volume | 3542.7 ± 1.8 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.0983 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1809 |
| Weighted residual factors for all reflections included in the refinement | 0.1972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279238 (current) | 2022-11-12 | cif/ Adding structures of 7245807, 7245808 via cif-deposit CGI script. |
7245808.cif |
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