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Information card for entry 1559665
Preview
Coordinates | 1559665.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H30 B11 P |
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Calculated formula | C26 H30 B11 P |
SMILES | [P]1([C]2345[C]678([BH]9%102[BH]2%113[BH]3%124[BH]456[BH]56%12[BH]%12%113[BH]3%102[BH]279[BH]845[BH]6%1232)[B]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. |
Authors of publication | Zhang, Jian; Xie, Zuowei |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 5 |
Pages of publication | 1745 - 1749 |
a | 14.029 ± 0.002 Å |
b | 9.9593 ± 0.0019 Å |
c | 20.562 ± 0.003 Å |
α | 90° |
β | 92.648 ± 0.004° |
γ | 90° |
Cell volume | 2869.8 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1142 |
Residual factor for significantly intense reflections | 0.0636 |
Weighted residual factors for significantly intense reflections | 0.1547 |
Weighted residual factors for all reflections included in the refinement | 0.1891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/1559665.html
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Users of the data should acknowledge the original authors of the
structural data.