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Information card for entry 1544176
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Coordinates | 1544176.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | F3 |
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Chemical name | 2,2-difluoro-4-(furan-2-yl)-6-(4'-methoxy-[1,1'-biphenyl]-4-yl)-2H-1,3,2-dioxaborinin-1-ium-2-uide |
Formula | C20 H15 B F2 O4 |
Calculated formula | C20 H15 B F2 O4 |
SMILES | F[B]1(F)OC(=CC(=[O]1)c1occc1)c1ccc(c2ccc(OC)cc2)cc1 |
Title of publication | Synthesis, characterization and properties of furan-containing difluoroboron complexes |
Authors of publication | Liu, Chun; Zhang, Hao; Zhao, Jianzhang |
Journal of publication | RSC Advances |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 95 |
Pages of publication | 92341 - 92348 |
a | 8.808 Å |
b | 13.609 Å |
c | 14.247 Å |
α | 76.62° |
β | 87.56° |
γ | 88.26° |
Cell volume | 1659.53 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0638 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.143 |
Weighted residual factors for all reflections included in the refinement | 0.1535 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/1544176.html
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