Information card for entry 7118757

Structure parameters

• Chemical name: Diarylmethine-substituted Oxindole 3ab
• Formula: C38 H41 N O2
• Calculated formula: C38 H41 N O2
• SMILES: Oc1c(cc([C@H]([C@@]2(c3c(N(C2=O)CC=C)cccc3)c2ccccc2)c2ccccc2)cc1C(C)(C)C)C(C)(C)C
• Title of publication: Bifunctional tertiary amine-squaramide catalyzed asymmetric catalytic 1,6-conjugate addition/aromatization of para-quinone methides with oxindoles.
• Authors of publication: Deng, Yu-Hua; Zhang, Xiang-Zhi; Yu, Ke-Yin; Yan, Xu; Du, Ji-Yuan; Huang, Hanmin; Fan, Chun-An
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 4183 - 4186
• a: 9.5705 ± 0.0003 Å
• b: 20.6075 ± 0.0007 Å
• c: 15.8172 ± 0.0004 Å
• α: 90°
• β: 90.295 ± 0.003°
• γ: 90°
• Cell volume: 3119.49 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No