Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240512
Preview
| Coordinates | 7240512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H83 N25 Na4 O37 S4 |
|---|---|
| Calculated formula | C63 H83 N25 Na4 O37 S4 |
| Title of publication | A cucurbit[6]uril-based supramolecular assembly as a highly sensitive and quickly responsive luminescent sensor for the detection of fluoroquinolones antibiotics in simulated wastewater |
| Authors of publication | Liu, Mei; Shi, Lulu; Li, Hui |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 11.2749 ± 0.0009 Å |
| b | 24.769 ± 0.002 Å |
| c | 14.9058 ± 0.0012 Å |
| α | 90° |
| β | 92.691 ± 0.002° |
| γ | 90° |
| Cell volume | 4158.1 ± 0.6 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 6 |
| 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 | 0.1138 |
| Residual factor for significantly intense reflections | 0.0927 |
| Weighted residual factors for significantly intense reflections | 0.2203 |
| Weighted residual factors for all reflections included in the refinement | 0.2325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252037 (current) | 2020-05-14 | cif/ Adding structures of 7240512 via cif-deposit CGI script. |
7240512.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.