Information card for entry 7160530

Structure parameters

• Formula: C64 H60 Cl2 N6 O4
• Calculated formula: C64 H60 Cl2 N6 O4
• Title of publication: Catalytic asymmetric C-7 Friedel-Crafts reaction of 4-aminoindoles: construction of <i>N</i>-substituted quaternary carbon atoms.
• Authors of publication: Liu, Shenggui; Ye, Hang; He, Hualing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 5339 - 5342
• a: 8.4767 ± 0.0001 Å
• b: 34.4041 ± 0.0002 Å
• c: 9.5432 ± 0.0001 Å
• α: 90°
• β: 99.537 ± 0.001°
• γ: 90°
• Cell volume: 2744.65 ± 0.05 ų
• Cell temperature: 159.99 ± 0.1 K
• Ambient diffraction temperature: 159.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No