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Information card for entry 7234971
Preview
| Coordinates | 7234971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H13 B F2 N2 O |
|---|---|
| Calculated formula | C20 H13 B F2 N2 O |
| Title of publication | Aggregation-induced emission enhancement (AIEE)-active boron-difluoride dyes with reversible mechanochromic fluorescence |
| Authors of publication | Yan, Xiaojing; Zhu, Pengcheng; Zhou, Zhiguo; Yang, Hong; Lan, Haichuang; Xiao, Shuzhang |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 61 |
| Pages of publication | 35872 |
| a | 7.7955 ± 0.0004 Å |
| b | 23.1127 ± 0.001 Å |
| c | 9.1369 ± 0.0004 Å |
| α | 90° |
| β | 107.358 ± 0.001° |
| γ | 90° |
| Cell volume | 1571.27 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 K |
| Number of distinct elements | 6 |
| 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.13 |
| Weighted residual factors for all reflections included in the refinement | 0.1368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7234971.cif |
| 223285 | 2019-11-05 | cif/ Adding structures of 7234971 via cif-deposit CGI script. |
7234971.cif |
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Users of the data should acknowledge the original authors of the
structural data.