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Information card for entry 4101291
Preview
Coordinates | 4101291.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H30 B10 |
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Calculated formula | C14 H30 B10 |
SMILES | [C]12345[C]678(C(=C(C(=C1CC)CC)CC)CC)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132 |
Title of publication | Nickel-mediated regioselective [2 + 2 + 2] cycloaddition of carboryne with alkynes. |
Authors of publication | Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Journal issue | 24 |
Pages of publication | 7728 - 7729 |
a | 9.5798 ± 0.0009 Å |
b | 17.5497 ± 0.0016 Å |
c | 12.2467 ± 0.0011 Å |
α | 90° |
β | 111.667 ± 0.002° |
γ | 90° |
Cell volume | 1913.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1121 |
Residual factor for significantly intense reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.1681 |
Weighted residual factors for all reflections included in the refinement | 0.2042 |
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/4101291.html
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