Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250170
Preview
| Coordinates | 7250170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H41 O12 S4 |
|---|---|
| Calculated formula | C38 H41 O12 S4 |
| Title of publication | A Flexible Molecular Organic Crystal with π−π Bonding for the Highly Selective Recognition of Hydrogen Isotopes |
| Authors of publication | Lei, Min; Jiang, Lisha; Wang, Chunhui; Song, Jianxin; Liu, Wei; Qiu, Jie |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 20.809 ± 0.003 Å |
| b | 18.499 ± 0.002 Å |
| c | 10.0983 ± 0.0012 Å |
| α | 90° |
| β | 95.989 ± 0.006° |
| γ | 90° |
| Cell volume | 3866.1 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1062 |
| Residual factor for significantly intense reflections | 0.0772 |
| Weighted residual factors for significantly intense reflections | 0.1755 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298557 (current) | 2025-03-22 | cif/ Adding structures of 7250170 via cif-deposit CGI script. |
7250170.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.