Information card for entry 1554327

Structure parameters

• Formula: C26 H21 F2 N3
• Calculated formula: C26 H21 F2 N3
• SMILES: FC1(F)[C@@]2(N([C@H]3Nc4ccccc4[C@@]43CCN=C24)c2c1ccc(c2)C)c1ccccc1.FC1(F)[C@]2(N([C@@H]3Nc4ccccc4[C@]43CCN=C24)c2c1ccc(c2)C)c1ccccc1
• Title of publication: A Zn(OTf)2 catalyzed Ugi-type reaction of 3-(2-isocyanoethyl)indoles with indole-derived ketimines: rapid access to hexacyclic spiroindolines
• Authors of publication: Liu, Yun-Lin; Mao, Xiang-Yu; Lin, Xiao-Tong; Chen, Guo-Shu
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2303
• a: 18.7671 ± 0.0001 Å
• b: 18.7671 ± 0.0001 Å
• c: 24.2076 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8526.01 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No