Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130275
Preview
| Coordinates | 7130275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ccgnme |
|---|---|
| Formula | C82 H82 F6 N8 O12 S4 |
| Calculated formula | C82 H82 F6 N8 O12 S4 |
| Title of publication | Catalytic enantioselective intramolecular 1,3-dipolar cycloaddition of azomethine ylides with fluorinated dipolarophiles |
| Authors of publication | Cristóbal, Christian; Gaviña, Daniel; Alonso, Inés; Ribagorda, María; Carretero, Juan C.; del Pozo, Carlos; Adrio, Javier |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 17.233 ± 0.003 Å |
| b | 6.965 ± 0.002 Å |
| c | 18.586 ± 0.004 Å |
| α | 90 ± 0.03° |
| β | 90 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 2230.8 ± 0.9 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1976 |
| Residual factor for significantly intense reflections | 0.1674 |
| Weighted residual factors for significantly intense reflections | 0.4126 |
| Weighted residual factors for all reflections included in the refinement | 0.4383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.872 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276196 (current) | 2022-06-24 | cif/ Adding structures of 7130275, 7130276 via cif-deposit CGI script. |
7130275.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.