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Information card for entry 7221928
Preview
| Coordinates | 7221928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H22 O7 S4 |
|---|---|
| Calculated formula | C30 H22 O7 S4 |
| Title of publication | ‘Honeycomb’ nanotube assembly based on thiacalix[4]arene derivatives by weak interactions |
| Authors of publication | Wang, Wei; Yang, Weiping; Guo, Rong; Gong, Shuling |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 40 |
| Pages of publication | 7663 |
| a | 37.589 ± 0.003 Å |
| b | 37.589 ± 0.003 Å |
| c | 10.681 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13070 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.105 |
| Residual factor for significantly intense reflections | 0.0802 |
| Weighted residual factors for significantly intense reflections | 0.2212 |
| Weighted residual factors for all reflections included in the refinement | 0.2377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7221928.cif |
| 171094 | 2015-12-09 | cif/ Updating files of 7221927, 7221928, 7221929, 7221930, 7221931, 7221932 Original log message: Adding full bibliography for 7221927--7221932.cif. |
7221928.cif |
| 153779 | 2015-08-29 | cif/ Adding structures of 7221927, 7221928, 7221929, 7221930, 7221931, 7221932 via cif-deposit CGI script. |
7221928.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.