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Information card for entry 7241150
Preview
| Coordinates | 7241150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H21 B O3 |
|---|---|
| Calculated formula | C19 H21 B O3 |
| SMILES | O1B(OC(C1(C)C)(C)C)c1ccc(cc1)C(=O)c1ccccc1 |
| Title of publication | Elucidation of distinct fluorescence and room-temperature phosphorescence of organic polymorphs from benzophenone-borate derivatives. |
| Authors of publication | Che, Weilong; Gong, Yanbin; Tu, Liangjing; Han, Mengmeng; Li, Xiaoning; Xie, Yujun; Li, Zhen |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 37 |
| Pages of publication | 21445 - 21452 |
| a | 12.4558 ± 0.0002 Å |
| b | 12.11252 ± 0.00015 Å |
| c | 12.7411 ± 0.0002 Å |
| α | 90° |
| β | 113.325 ± 0.002° |
| γ | 90° |
| Cell volume | 1765.16 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0856 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.2187 |
| Weighted residual factors for all reflections included in the refinement | 0.2267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241150.cif |
| 258983 | 2020-11-06 | cif/ Updating files of 7241148, 7241149, 7241150, 7241151 Original log message: Adding full bibliography for 7241148--7241151.cif. |
7241150.cif |
| 255733 | 2020-08-29 | cif/ Adding structures of 7241148, 7241149, 7241150, 7241151 via cif-deposit CGI script. |
7241150.cif |
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Users of the data should acknowledge the original authors of the
structural data.