Information card for entry 7248607

Structure parameters

• Formula: C28 H26 N2 O3 S
• Calculated formula: C28 H26 N2 O3 S
• Title of publication: Switchable divergent synthesis of chiral indole derivatives via catalytic asymmetric dearomatization of 2,3-disubstituted indoles
• Authors of publication: Liu, Tingting; Wang, Jianbin; Xiao, Rou; Zhao, Junling
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 15591 - 15596
• a: 8.87694 ± 0.00013 Å
• b: 11.7651 ± 0.0002 Å
• c: 22.7128 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2372.08 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0395
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No