Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1570510
Preview
| Coordinates | 1570510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | S5 |
|---|---|
| Chemical name | S5 |
| Formula | C60 H46 N4 |
| Calculated formula | C60 H46 N4 |
| Title of publication | Cucurbituril-based supramolecular host-guest complexes: single-crystal structures and dual-state fluorescence enhancement. |
| Authors of publication | Wang, Hui; Liu, Hui; Wang, Mingsen; Hou, Jiaheng; Li, Yongjun; Wang, Yuancheng; Zhao, Yingjie |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 458 - 465 |
| a | 15.447 ± 0.002 Å |
| b | 5.8857 ± 0.0006 Å |
| c | 29.629 ± 0.004 Å |
| α | 90° |
| β | 91.258 ± 0.005° |
| γ | 90° |
| Cell volume | 2693.1 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1365 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.1903 |
| Weighted residual factors for all reflections included in the refinement | 0.235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289418 (current) | 2024-02-04 | cif/ Updating files of 1570510, 1570511, 1570512 Original log message: Adding full bibliography for 1570510--1570512.cif. |
1570510.cif |
| 288055 | 2023-12-06 | cif/ Adding structures of 1570510, 1570511, 1570512 via cif-deposit CGI script. |
1570510.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.