Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4036355
Preview
| Coordinates | 4036355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H53 Cl3 N12 |
|---|---|
| Calculated formula | C61 H53 Cl3 N12 |
| Title of publication | Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages. |
| Authors of publication | Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 18 |
| Pages of publication | 9272 - 9278 |
| a | 19.89 ± 0.003 Å |
| b | 19.89 ± 0.003 Å |
| c | 6.3216 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2500.9 ± 0.7 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 102 |
| Hermann-Mauguin space group symbol | P 42 n m |
| Hall space group symbol | P 4n -2n |
| Residual factor for all reflections | 0.0587 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1457 |
| Weighted residual factors for all reflections included in the refinement | 0.1468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234596 (current) | 2019-11-23 | cif/ Adding structures of 4036355 via cif-deposit CGI script. |
4036355.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.