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Information card for entry 4121845
Preview
Coordinates | 4121845.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H36 B10 O Si |
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Calculated formula | C20 H36 B10 O Si |
SMILES | O(c1ccc2C([Si](C)(C)C)=C3[C]4567[C]89%10([C@@H](CCCC)C3)[BH]3%114[BH]4%128[BH]8%139[BH]95%10[BH]5%10%13[BH]%13%128[BH]8%114[BH]463[B]795(c2c1)[BH]%10%1384)C |
Title of publication | Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics. |
Authors of publication | Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 21 |
Pages of publication | 7599 - 7602 |
a | 9.6641 ± 0.0008 Å |
b | 11.7306 ± 0.0009 Å |
c | 21.7302 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2463.5 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.077 |
Residual factor for significantly intense reflections | 0.0711 |
Weighted residual factors for significantly intense reflections | 0.1834 |
Weighted residual factors for all reflections included in the refinement | 0.1899 |
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/4121845.html
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