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Information card for entry 7237617
Preview
| Coordinates | 7237617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H17 B F2 N2 |
|---|---|
| Calculated formula | C14 H17 B F2 N2 |
| Title of publication | Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties |
| Authors of publication | Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 3471 |
| a | 11.3643 ± 0.0006 Å |
| b | 7.1999 ± 0.0003 Å |
| c | 16.0342 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1311.95 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7237617.cif |
| 237807 | 2019-11-24 | cif/ Adding structures of 7237615, 7237616, 7237617, 7237618 via cif-deposit CGI script. |
7237617.cif |
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Users of the data should acknowledge the original authors of the
structural data.