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Information card for entry 1574856
Preview
| Coordinates | 1574856.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H42 N4 O4 |
|---|---|
| Calculated formula | C62 H42 N4 O4 |
| Title of publication | Molecular Engineering of Bis(triphenylamine)-Modified Fluorene Luminophore for Immensely Enriching Anisotropic Force-Triggered High-Contrast Tricolor Fluorescent Molecular Switches Library |
| Authors of publication | Chen, Zhao; Zou, Yijie; Yin, Ya; Deng, Dian-Dian; Yang, Yue; Fan, Congbin; Pu, Shouzhi; Liu, Gang |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 23.7964 ± 0.0007 Å |
| b | 14.8763 ± 0.0003 Å |
| c | 14.0068 ± 0.0004 Å |
| α | 90° |
| β | 93.979 ± 0.001° |
| γ | 90° |
| Cell volume | 4946.5 ± 0.2 Å3 |
| Cell temperature | 272 ± 2 K |
| Ambient diffraction temperature | 272 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 | 0.0936 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1705 |
| Weighted residual factors for all reflections included in the refinement | 0.1909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300037 (current) | 2025-06-11 | cif/ Adding structures of 1574855, 1574856 via cif-deposit CGI script. |
1574856.cif |
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