Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246791
Preview
| Coordinates | 7246791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H62 Cl6 O8 |
|---|---|
| Calculated formula | C72 H62 Cl6 O8 |
| Title of publication | Water soluble macrocyclic host for recognition of N-methylquinolinium salts in water |
| Authors of publication | Tian, Yuan-Hong; Qin, Han; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 21 |
| Pages of publication | 14539 - 14542 |
| a | 10.428 ± 0.006 Å |
| b | 30.79 ± 0.016 Å |
| c | 11.823 ± 0.006 Å |
| α | 90° |
| β | 98.347 ± 0.005° |
| γ | 90° |
| Cell volume | 3756 ± 3 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| 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 | 0.19 |
| Residual factor for significantly intense reflections | 0.0896 |
| Weighted residual factors for significantly intense reflections | 0.2601 |
| Weighted residual factors for all reflections included in the refinement | 0.3254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283800 (current) | 2023-05-16 | cif/ Adding structures of 7246791 via cif-deposit CGI script. |
7246791.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.