Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120697
Preview
| Coordinates | 7120697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | propellicene-octacarboxylate |
|---|---|
| Formula | C205.65 H169.65 Cl4.95 O48 |
| Calculated formula | C205.65 H169.65 Cl4.95 O48 |
| Title of publication | Non-Planar Oligoarylene Macrocycles from Biphenyl |
| Authors of publication | Robert, Antoine; Dechambenoit, Pierre; Hillard, Elizabeth A.; Bock, Harald; Durola, Fabien |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 19.3857 ± 0.0009 Å |
| b | 34.8893 ± 0.0017 Å |
| c | 29.1718 ± 0.0014 Å |
| α | 90° |
| β | 101.784 ± 0.002° |
| γ | 90° |
| Cell volume | 19314.6 ± 1.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2395 |
| Residual factor for significantly intense reflections | 0.1416 |
| Weighted residual factors for significantly intense reflections | 0.3721 |
| Weighted residual factors for all reflections included in the refinement | 0.4291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.43 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201154 (current) | 2017-09-22 | cif/ Adding structures of 7120695, 7120696, 7120697 via cif-deposit CGI script. |
7120697.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.