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Information card for entry 4129971
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Coordinates | 4129971.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H54 B4 O8 |
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Calculated formula | C32 H54 B4 O8 |
Title of publication | Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds. |
Authors of publication | Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 3 |
Pages of publication | 766 - 769 |
a | 15.2146 ± 0.0006 Å |
b | 10.8264 ± 0.0004 Å |
c | 22.5475 ± 0.0008 Å |
α | 90° |
β | 109.475 ± 0.001° |
γ | 90° |
Cell volume | 3501.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0668 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1181 |
Weighted residual factors for all reflections included in the refinement | 0.1304 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4129971.html
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