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Information card for entry 1576317
Preview
| Coordinates | 1576317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | JG162 150K / 4b 150K |
|---|---|
| Formula | C64.5 H51.75 F12 N O6 |
| Calculated formula | C64.5 H51.75 F12 N O6 |
| 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 | 17.5665 ± 0.0016 Å |
| b | 21.8949 ± 0.001 Å |
| c | 17.2854 ± 0.0015 Å |
| α | 90° |
| β | 109.319 ± 0.01° |
| γ | 90° |
| Cell volume | 6273.9 ± 0.9 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 5 |
| 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 | 0.1691 |
| Residual factor for significantly intense reflections | 0.1196 |
| Weighted residual factors for significantly intense reflections | 0.3437 |
| Weighted residual factors for all reflections included in the refinement | 0.3921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| 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. |
1576317.cif |
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