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Information card for entry 7117996
Preview
Coordinates | 7117996.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H15 B Br4 |
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Calculated formula | C26 H15 B Br4 |
SMILES | Brc1c(B(c2c3c(Br)cccc3ccc2)c2c3c(Br)cccc3ccc2)c(Br)ccc1 |
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 | 12.6333 ± 0.0009 Å |
b | 14.6789 ± 0.0007 Å |
c | 12.1639 ± 0.0008 Å |
α | 90° |
β | 94.908 ± 0.006° |
γ | 90° |
Cell volume | 2247.4 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0611 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.0971 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117996.html
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