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Information card for entry 4120328
Preview
Coordinates | 4120328.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C5 H15 B10 F3 |
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Calculated formula | C5 H15 B10 F3 |
SMILES | F[B]1234[BH]567[C]89%10([C]%11%125(C)[BH]5%13%10[BH]%10%149[BH]168[B]13%10(F)[B]35%14(F)[BH]5%12%13[BH]27%11[B]4135C)C |
Title of publication | Palladium-Catalyzed Selective Fluorination of o-Carboranes |
Authors of publication | Zaozao Qiu; Yangjian Quan; Zuowei Xie |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 12192 - 12195 |
a | 8.1749 ± 0.0007 Å |
b | 12.753 ± 0.0009 Å |
c | 13.7568 ± 0.0011 Å |
α | 110.6 ± 0.001° |
β | 102.586 ± 0.002° |
γ | 98.737 ± 0.001° |
Cell volume | 1268.57 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.108 |
Residual factor for significantly intense reflections | 0.0903 |
Weighted residual factors for significantly intense reflections | 0.2456 |
Weighted residual factors for all reflections included in the refinement | 0.2709 |
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/4120328.html
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Users of the data should acknowledge the original authors of the
structural data.