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Information card for entry 4125154
Preview
Coordinates | 4125154.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2 H11 B10 Br O |
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Calculated formula | C2 H11 B10 Br O |
SMILES | Br[B]1234[BH]567[CH]89%10[BH]%11%12%13[CH]%14%15%16[BH]%178%11[BH]859[BH]5%14%17[B]278(O)[BH]4%165[BH]3%13%15[BH]16%10%12 |
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 | 12.5493 ± 0.0003 Å |
b | 13.4359 ± 0.0003 Å |
c | 24.2837 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4094.5 ± 0.18 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0669 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0815 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4125154.html
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