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Information card for entry 7108565
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Coordinates | 7108565.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 6da |
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Formula | C22 H20 O2 |
Calculated formula | C22 H20 O2 |
SMILES | c1(c(ccc2ccccc12)[C@@H]1CC(=O)C[C@@H](C1)c1ccccc1)O |
Title of publication | Iminium ion catalysis: the enantioselective Friedel-Crafts alkylation-acetalization cascade of naphthols with alpha,beta-unsaturated cyclic ketones |
Authors of publication | Enrico Paradisi; Paolo Righi; Andrea Mazzanti; Silvia Ranieri; Giorgio Bencivenni |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 11178 |
a | 19.582 ± 0.003 Å |
b | 6.4957 ± 0.001 Å |
c | 15.898 ± 0.002 Å |
α | 90° |
β | 123.363 ± 0.001° |
γ | 90° |
Cell volume | 1689 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.044 |
Residual factor for significantly intense reflections | 0.036 |
Weighted residual factors for significantly intense reflections | 0.0827 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/7108565.html
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