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Information card for entry 4126073
Preview
Coordinates | 4126073.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H20 B10 O |
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Calculated formula | C10 H20 B10 O |
SMILES | O(c1cc(cc(c1)C)C)[B]1234[CH]567[BH]892[BH]2%104[CH]4%111[BH]135[BH]354[BH]42%11[BH]28%10[BH]869[BH]713[BH]5428 |
Title of publication | Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane. |
Authors of publication | Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
a | 11.7531 ± 0.0008 Å |
b | 14.5081 ± 0.0009 Å |
c | 20.6459 ± 0.0017 Å |
α | 104.277 ± 0.003° |
β | 99.855 ± 0.003° |
γ | 110.189 ± 0.002° |
Cell volume | 3072.4 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 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 | 0.081 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.15 |
Weighted residual factors for all reflections included in the refinement | 0.166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4126073.html
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