Information card for entry 1554872

Structure parameters

• Formula: C28 H29 N3 O4
• Calculated formula: C28 H29 N3 O4
• SMILES: O(c1ccc([C@@H]2N[C@@H]([C@H]([C@@H]2C(=O)N2CCc3c2nccc3)c2c(cccc2)C)C(=O)OC)cc1)C
• Title of publication: A AgOAc/quinine-derived aminophosphine complex as an efficient catalyst for diastereo- and enantioselective 1,3-dipolar cycloaddition of α,β-unsaturated 7-azaindoline amides and azomethine ylides
• Authors of publication: Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Xiao-Jian; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 1879
• a: 7.807 ± 0.0003 Å
• b: 15.9924 ± 0.0005 Å
• c: 10.5193 ± 0.0004 Å
• α: 90°
• β: 109.003 ± 0.004°
• γ: 90°
• Cell volume: 1241.79 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0442
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No