Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556884
Preview
| Coordinates | 1556884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H36 F6 N3 O3 P |
|---|---|
| Calculated formula | C40 H36 F6 N3 O3 P |
| Title of publication | Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region |
| Authors of publication | Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 1165 - 1169 |
| a | 8.20579 ± 0.00016 Å |
| b | 29.4208 ± 0.0008 Å |
| c | 16.5731 ± 0.0003 Å |
| α | 90° |
| β | 93.223 ± 0.002° |
| γ | 90° |
| Cell volume | 3994.76 ± 0.15 Å3 |
| Cell temperature | 180 ± 0.1 K |
| Ambient diffraction temperature | 180 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1859 |
| Weighted residual factors for all reflections included in the refinement | 0.2124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556884.cif |
| 257315 | 2020-10-06 | cif/ Updating files of 1556884, 1556885, 1556886 Original log message: Adding full bibliography for 1556884--1556886.cif. |
1556884.cif |
| 247637 | 2020-02-04 | cif/ Updating files of 1556884, 1556885, 1556886 Original log message: Adding full bibliography for 1556884--1556886.cif. |
1556884.cif |
| 246361 | 2020-01-01 | cif/ Adding structures of 1556884, 1556885, 1556886 via cif-deposit CGI script. |
1556884.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.