Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7244564
Preview
| Coordinates | 7244564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | p-sulfonatocalix[4]arene/pillar[4]pyridinum host-guest complex |
|---|---|
| Formula | C52 H72 N4 O30 S4 |
| Calculated formula | C52 H44 N4 O30 S4 |
| Title of publication | Electrostatic co-assembly of pillar[n]pyridiniums and calix[4]arene in aqueous media |
| Authors of publication | Kravets, Kateryna; Kravets, Mykola; Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 18.3974 ± 0.0001 Å |
| b | 18.3974 ± 0.0001 Å |
| c | 20.6604 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6992.81 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 84 |
| Hermann-Mauguin space group symbol | P 42/m |
| Hall space group symbol | -P 4c |
| Residual factor for all reflections | 0.0993 |
| Residual factor for significantly intense reflections | 0.0893 |
| Weighted residual factors for significantly intense reflections | 0.2615 |
| Weighted residual factors for all reflections included in the refinement | 0.2781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273291 (current) | 2022-03-04 | cif/ Adding structures of 7244564, 7244565 via cif-deposit CGI script. |
7244564.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.