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Information card for entry 7155634
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Coordinates | 7155634.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H8 Br4 O2 |
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Calculated formula | C16 H8 Br4 O2 |
SMILES | Brc1c2OCC#CCOc3c(c2cc(Br)c1)cc(Br)cc3Br |
Title of publication | Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides |
Authors of publication | Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin |
Journal of publication | Org. Biomol. Chem. |
Year of publication | 2017 |
a | 7.84858 ± 0.00005 Å |
b | 15.11182 ± 0.00007 Å |
c | 13.51546 ± 0.00009 Å |
α | 90° |
β | 101.048 ± 0.0006° |
γ | 90° |
Cell volume | 1573.31 ± 0.017 Å3 |
Cell temperature | 175 ± 2 K |
Ambient diffraction temperature | 175 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0257 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0636 |
Weighted residual factors for all reflections included in the refinement | 0.064 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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