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Information card for entry 1553176
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Coordinates | 1553176.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-(2-chlorophenyl)-2,5-diphenylpentane-1,5-dione |
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Formula | C23 H19 Cl O2 |
Calculated formula | C23 H19 Cl O2 |
SMILES | c1(ccccc1C(=O)C(c1ccccc1)CCC(=O)c1ccccc1)Cl |
Title of publication | Alkylation/1,2-aryl migration of α-aryl allylic alcohols with α-carbonyl alkyl bromides using visible-light photoredox catalysis |
Authors of publication | Li, Yang; Liu, Bang; Ouyang, Xuan-Hui; Song, Ren-Jie; Li, Jin-Heng |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 11 |
Pages of publication | 1457 |
a | 28.386 ± 0.007 Å |
b | 9.195 ± 0.002 Å |
c | 17.591 ± 0.005 Å |
α | 90° |
β | 125.324 ± 0.008° |
γ | 90° |
Cell volume | 3746.1 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0845 |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.1378 |
Weighted residual factors for all reflections included in the refinement | 0.1529 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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