Information card for entry 7059595

Structure parameters

• Formula: C27 H20 N4 O3
• Calculated formula: C27 H20 N4 O3
• SMILES: c12c([C@]3(c4c(N(C3=O)Cc3ccccc3)ccc(OC)c4)C(=C(O2)N)C#N)ccc2c1cc[nH]2
• Title of publication: Asymmetric synthesis of spirooxindole–pyranoindole products via Friedel–Crafts alkylation/cyclization of the indole carbocyclic ring
• Authors of publication: Gao, Yuan; Wang, Xiaonan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 23
• Pages of publication: 9788 - 9792
• a: 11.5749 ± 0.0003 Å
• b: 8.9564 ± 0.0002 Å
• c: 12.5886 ± 0.0004 Å
• α: 90°
• β: 116.214 ± 0.001°
• γ: 90°
• Cell volume: 1170.83 ± 0.06 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.0766
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No