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Information card for entry 1555803
Preview
Coordinates | 1555803.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H16 Cl2 O2 |
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Calculated formula | C21 H16 Cl2 O2 |
SMILES | Clc1cc(c(OC)cc1Cl)C(C(=O)c1ccccc1)c1ccccc1 |
Title of publication | Iron-Catalyzed α-Arylation of Deoxybenzoins with Arenes through an Oxidative Dehydrogenative Approach. |
Authors of publication | Chen, Tao; Li, Yi-Fan; An, Yang; Zhang, Fu-Min |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 18 |
Pages of publication | 4754 - 4757 |
a | 7.5712 ± 0.0004 Å |
b | 8.8981 ± 0.0007 Å |
c | 14.6818 ± 0.0011 Å |
α | 76.585 ± 0.007° |
β | 82.407 ± 0.005° |
γ | 74.099 ± 0.006° |
Cell volume | 922.81 ± 0.12 Å3 |
Cell temperature | 290.83 ± 0.1 K |
Ambient diffraction temperature | 290.83 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0871 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.0967 |
Weighted residual factors for all reflections included in the refinement | 0.1217 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
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/1555803.html
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