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Information card for entry 7117997
Preview
| Coordinates | 7117997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H15 B |
|---|---|
| Calculated formula | C26 H15 B |
| SMILES | B12c3c4c(c5c1c(ccc5)c1c5c2cccc5ccc1)cccc4ccc3 |
| Title of publication | A boron-doped helicene as a highly soluble, benchtop-stable green emitter |
| Authors of publication | Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 87 |
| Pages of publication | 15808 - 15810 |
| a | 3.9791 ± 0.0012 Å |
| b | 19.948 ± 0.006 Å |
| c | 20.208 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1604 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1732 |
| Residual factor for significantly intense reflections | 0.0677 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.844 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117997.cif |
| 210724 | 2018-09-10 | cif/7/11/ Updating bibliography in entries 7117995-7118002. Marking entries 7117995-7117998 as duplicates of entries 7117999-7118002. |
7117997.cif |
| 169751 | 2015-10-26 | cif/ Adding structures of 7117995, 7117996, 7117997, 7117998, 7117999, 7118000, 7118001, 7118002 via cif-deposit CGI script. |
7117997.cif |
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Users of the data should acknowledge the original authors of the
structural data.