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Information card for entry 7152111
Preview
Coordinates | 7152111.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H22 F2 N2 O |
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Calculated formula | C30 H22 F2 N2 O |
SMILES | Fc1ccc(cc1)[C@@H](CC(=O)/C=C/c1ccc(F)cc1)[C@H]1CCc2ccccc2C1=C(C#N)C#N.Fc1ccc(cc1)[C@H](CC(=O)/C=C/c1ccc(F)cc1)[C@@H]1CCc2ccccc2C1=C(C#N)C#N |
Title of publication | Phosphine-catalyzed [4 + 2] annulation and vinylogous addition reactions between 1,4-dien-3-ones and 1,1-dicyanoalkenes. |
Authors of publication | Zhou, Rong; Wang, Jianfang; Tian, Junjun; He, Zhengjie |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2012 |
Journal volume | 10 |
Journal issue | 4 |
Pages of publication | 773 - 781 |
a | 12.828 ± 0.002 Å |
b | 11.141 ± 0.002 Å |
c | 16.665 ± 0.003 Å |
α | 90° |
β | 103.208 ± 0.01° |
γ | 90° |
Cell volume | 2318.7 ± 0.7 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0332 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0599 |
Weighted residual factors for all reflections included in the refinement | 0.0606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7152111.html
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