Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160555
Preview
| Coordinates | 7160555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H104 N2 O27 S4 |
|---|---|
| Calculated formula | C92 H104 N2 O27 S4 |
| Title of publication | Photoinitiated Thiol-ene Mediated Functionalization of 4,5-Enoses |
| Authors of publication | Prieto-Castañeda, Alejandro; Martin, Harlei; Manna, Tapasi; Beswick, Laura; McLean, Joshua T.; Pongener, Imlirenla; Rabadán González, Inés; Twamley, Brendan; Miller, Gavin John; Scanlan, Eoin M. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 10.8947 ± 0.0007 Å |
| b | 15.2408 ± 0.0009 Å |
| c | 27.3806 ± 0.0016 Å |
| α | 81.262 ± 0.004° |
| β | 85.221 ± 0.004° |
| γ | 81.397 ± 0.004° |
| Cell volume | 4434.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1098 |
| Residual factor for significantly intense reflections | 0.0884 |
| Weighted residual factors for significantly intense reflections | 0.2286 |
| Weighted residual factors for all reflections included in the refinement | 0.2512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299717 (current) | 2025-05-17 | cif/ Adding structures of 7160555, 7160556, 7160557, 7160558 via cif-deposit CGI script. |
7160555.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.