Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4130956
Preview
| Coordinates | 4130956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H15 N O |
|---|---|
| Calculated formula | C22 H15 N O |
| SMILES | N1(c2c(Oc3c1cccc3)cccc2)c1cccc2ccccc12 |
| Title of publication | Organocatalyzed Atom Transfer Radical Polymerization Using N-Aryl Phenoxazines as Photoredox Catalysts. |
| Authors of publication | Pearson, Ryan M.; Lim, Chern-Hooi; McCarthy, Blaine G.; Musgrave, Charles B.; Miyake, Garret M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 35 |
| Pages of publication | 11399 - 11407 |
| a | 8.8713 ± 0.0006 Å |
| b | 9.1631 ± 0.0006 Å |
| c | 11.2812 ± 0.0009 Å |
| α | 83.142 ± 0.004° |
| β | 78.687 ± 0.004° |
| γ | 71.594 ± 0.004° |
| Cell volume | 851.58 ± 0.11 Å3 |
| Cell temperature | 117 ± 2 K |
| Ambient diffraction temperature | 117 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0976 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4130956.cif |
| 241283 | 2019-11-25 | cif/ Adding structures of 4130956 via cif-deposit CGI script. |
4130956.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.