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Information card for entry 1501861
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1501861.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H6 B F15 O |
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Calculated formula | C24 H6 B F15 O |
SMILES | [B]1(C(=CC[O]1CC#C)c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | 1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction. |
Authors of publication | Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 1 |
Pages of publication | 62 - 65 |
a | 10.2004 ± 0.0002 Å |
b | 10.4858 ± 0.0002 Å |
c | 10.936 ± 0.0001 Å |
α | 79.725 ± 0.001° |
β | 79.268 ± 0.001° |
γ | 81.578 ± 0.002° |
Cell volume | 1123.03 ± 0.03 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.04 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.1059 |
Weighted residual factors for all reflections included in the refinement | 0.1082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1501861.html
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Users of the data should acknowledge the original authors of the
structural data.