Information card for entry 1553519

Structure parameters

• Formula: C36 H32 F2 N2 O2
• Calculated formula: C36 H32 F2 N2 O2
• SMILES: Fc1ccc(C[C@@H]2[C@H]([C@@H](N(C2=O)c2ccccc2C(=O)CC)c2[nH]c3c(c2CC)cccc3)c2ccc(F)cc2)cc1
• Title of publication: Diastereo- and enantioselective construction of biologically important pyrrolo[1,2-a]indole scaffolds via catalytic asymmetric [3 + 2] cyclodimerizations of 3-alkyl-2-vinylindoles
• Authors of publication: Zhu, Zi-Qi; Yin, Lei; Wang, Yang; Shen, Yang; Li, Can; Mei, Guang-Jian; Shi, Feng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 57
• a: 11.5593 ± 0.0003 Å
• b: 14.0068 ± 0.0003 Å
• c: 17.8914 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2896.78 ± 0.12 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No