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Information card for entry 7118418
Preview
Coordinates | 7118418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H18 O |
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Calculated formula | C20 H18 O |
SMILES | O=C1C2(C(=C(c3c2cccc3)C)c2ccccc2)CCC1 |
Title of publication | An air-stable half-sandwich Ru(II) complex as an efficient catalyst for [3+2] annulation of 2-arylcyclo-2-enones with alkynes. |
Authors of publication | Zhao, Yinsong; He, Zhen; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Jingbo; You, Jingsong |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 25 |
Pages of publication | 4613 - 4616 |
a | 9.7368 ± 0.0003 Å |
b | 8.7212 ± 0.0003 Å |
c | 17.6929 ± 0.0005 Å |
α | 90° |
β | 97.34 ± 0.003° |
γ | 90° |
Cell volume | 1490.11 ± 0.08 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 | 0.0758 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1216 |
Weighted residual factors for all reflections included in the refinement | 0.1374 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
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/7118418.html
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