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Information card for entry 4125156
Preview
Coordinates | 4125156.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H21 B10 N O2 |
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Calculated formula | C10 H21 B10 N O2 |
SMILES | O(c1cc(N[B]2345[CH]678[CH]9%102[BH]2%115[BH]5%124[BH]436[BH]368[BH]87%10[BH]792[BH]2%11%12[BH]543[BH]6872)cc(OC)c1)C |
Title of publication | B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes. |
Authors of publication | Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 29 |
Pages of publication | 9081 - 9084 |
a | 12.7259 ± 0.0007 Å |
b | 12.9299 ± 0.0007 Å |
c | 20.6344 ± 0.001 Å |
α | 100.156 ± 0.002° |
β | 98.573 ± 0.002° |
γ | 96.338 ± 0.002° |
Cell volume | 3272 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.0932 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1412 |
Weighted residual factors for all reflections included in the refinement | 0.1625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4125156.html
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Users of the data should acknowledge the original authors of the
structural data.