Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8000473
Preview
| Coordinates | 8000473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | compound 3 |
|---|---|
| Chemical name | 7,12-dicyano-3,16-dimethoxyheptahelicene |
| Formula | C34 H20 N2 O2 |
| Calculated formula | C34 H20 N2 O2 |
| Title of publication | Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence. |
| Authors of publication | Kubo, Hiromu; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Hasegawa, Jun-Ya; Matsuda, Kenji |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 686 - 695 |
| a | 13.7963 ± 0.0005 Å |
| b | 12.6757 ± 0.0004 Å |
| c | 13.3735 ± 0.0005 Å |
| α | 90° |
| β | 98.305 ± 0.0012° |
| γ | 90° |
| Cell volume | 2314.2 ± 0.14 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8000473.cif |
| 261494 | 2021-02-04 | cif/ Adding structures of 8000473 via cif-deposit CGI script. |
8000473.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.