Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566542
Preview
| Coordinates | 1566542.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CPOC-302-Pro |
|---|---|
| Formula | C492 H528 N48 O60 |
| Calculated formula | C432 H384 N24 O48 |
| Title of publication | Chiral Proline-Substituted Porous Organic Cages in Asymmetric Organocatalysis |
| Authors of publication | Xu, Ning; Su, Kongzhao; M. El-Sayed, El-Sayed; Ju, Zhanfeng; Yuan, Daqiang |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 32.5182 ± 0.0019 Å |
| b | 32.5182 ± 0.0019 Å |
| c | 51.424 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 47092 ± 5 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 158 |
| Hermann-Mauguin space group symbol | P 3 c 1 |
| Hall space group symbol | P 3 -2"c |
| Residual factor for all reflections | 0.4055 |
| Residual factor for significantly intense reflections | 0.122 |
| Weighted residual factors for significantly intense reflections | 0.2206 |
| Weighted residual factors for all reflections included in the refinement | 0.3757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.793 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273290 (current) | 2022-03-04 | cif/ Adding structures of 1566542, 1566543 via cif-deposit CGI script. |
1566542.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.