Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4037791
Preview
| Coordinates | 4037791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | FenilvinilSubPz |
|---|---|
| Formula | C140 H110 B2 N12 O2 |
| Calculated formula | C137 H98 B2 N12 O2 |
| Title of publication | Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs. |
| Authors of publication | Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| a | 25.0623 ± 0.0009 Å |
| b | 25.2909 ± 0.0008 Å |
| c | 19.4705 ± 0.0007 Å |
| α | 90° |
| β | 101.146 ± 0.002° |
| γ | 90° |
| Cell volume | 12108.6 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2759 |
| Residual factor for significantly intense reflections | 0.1651 |
| Weighted residual factors for significantly intense reflections | 0.3962 |
| Weighted residual factors for all reflections included in the refinement | 0.5012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246710 (current) | 2020-01-11 | cif/ Adding structures of 4037788, 4037789, 4037790, 4037791 via cif-deposit CGI script. |
4037791.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.