Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1520455
Preview
| Coordinates | 1520455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H28 N4 O |
|---|---|
| Calculated formula | C36 H28 N4 O |
| SMILES | O=C1N(N(C(=NN1c1ccccc1)c1c2ccccc2cc2ccccc12)C(C)c1ccccc1)c1ccccc1 |
| Title of publication | Profluorescent verdazyl radicals – synthesis and characterization |
| Authors of publication | Matuschek, David; Eusterwiemann, Steffen; Stegemann, Linda; Doerenkamp, Carsten; Wibbeling, Birgit; Daniliuc, Constantin G.; Doltsinis, Nikos L.; Strassert, Cristian A.; Eckert, Hellmut; Studer, Armido |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 4712 |
| a | 11.2158 ± 0.0003 Å |
| b | 10.0647 ± 0.0003 Å |
| c | 24.8459 ± 0.0006 Å |
| α | 90° |
| β | 97.414 ± 0.002° |
| γ | 90° |
| Cell volume | 2781.25 ± 0.13 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520455.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520455.cif |
| 153084 | 2015-08-08 | cif/ Updating files of 1520452, 1520453, 1520454, 1520455 Original log message: Adding full bibliography for 1520452--1520455.cif. |
1520455.cif |
| 138957 | 2015-06-09 | cif/ Adding structures of 1520452, 1520453, 1520454, 1520455 via cif-deposit CGI script. |
1520455.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.