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Information card for entry 7239739
Preview
| Coordinates | 7239739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H32 O8 |
|---|---|
| Calculated formula | C44 H32 O8 |
| Title of publication | Weak intermolecular interaction directed assembly of calix[4]arene derivatives |
| Authors of publication | Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 46 |
| Pages of publication | 7114 |
| a | 17.7822 ± 0.0006 Å |
| b | 17.782 ± 0.002 Å |
| c | 43.687 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13814 ± 1.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1834 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246603 (current) | 2020-01-05 | cif/ Adding structures of 7239733, 7239734, 7239735, 7239736, 7239737, 7239738, 7239739 via cif-deposit CGI script. |
7239739.cif |
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Users of the data should acknowledge the original authors of the
structural data.