Information card for entry 7106602

Structure parameters

• Formula: C18 H14 Cl3 N O
• Calculated formula: C18 H14 Cl3 N O
• SMILES: ClC(Cl)(Cl)[C@H](c1c2c([nH]c1)cccc2)CC(=O)c1ccccc1
• Title of publication: Highly enantioselective yttrium(III)-catalyzed Friedel-Crafts alkylation of B-trichloro(trifluoro)methyl aryl enones with indoles
• Authors of publication: Wentao Wang; Xiangjin Lian; Donghui Chen; Xiaohua Liu; Lili Lin; Xiaoming Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7821
• a: 19.6727 ± 0.0008 Å
• b: 14.166 ± 0.0007 Å
• c: 5.9443 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1656.58 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No