Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1576316
Preview
| Coordinates | 1576316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | JG-10c 200K / 2a 200K |
|---|---|
| Formula | C49 H37 F12 N O2 |
| Calculated formula | C49 H37 F12 N O2 |
| Title of publication | Controlling optoelectronic properties and aggregation of planar dipoles through symmetry-preserving modifications |
| Authors of publication | García-Calvo, José; Modino-Montes, María; Romero-Muñiz, Ignacio; Torres, Tomás |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 8.0976 ± 0.0003 Å |
| b | 36.4931 ± 0.0014 Å |
| c | 28.4083 ± 0.0008 Å |
| α | 90° |
| β | 94.97 ± 0.003° |
| γ | 90° |
| Cell volume | 8363.3 ± 0.5 Å3 |
| Cell temperature | 200 ± 0.1 K |
| Ambient diffraction temperature | 200 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1663 |
| Residual factor for significantly intense reflections | 0.0831 |
| Weighted residual factors for significantly intense reflections | 0.2212 |
| Weighted residual factors for all reflections included in the refinement | 0.2763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| 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 |
|---|---|---|---|
| 303421 (current) | 2025-11-26 | cif/ Adding structures of 1576315, 1576316, 1576317 via cif-deposit CGI script. |
1576316.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.