Information card for entry 7155109

Structure parameters

• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: COc1ccc(cc1)NC1(C(=O)Nc2ccccc12)CC=C
• Title of publication: Imidazolylpyridine-In(OTf)3 catalyzed enantioselective allylation of ketimines derived from isatins.
• Authors of publication: Chen, Tingting; Cai, Chun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5019 - 5022
• a: 8.805 ± 0.003 Å
• b: 9.007 ± 0.004 Å
• c: 10.923 ± 0.004 Å
• α: 67.435 ± 0.009°
• β: 78.145 ± 0.009°
• γ: 73.817 ± 0.01°
• Cell volume: 763.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0824
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No