Information card for entry 7160540

Structure parameters

• Formula: C31 H37 Cl6 N3 O6
• Calculated formula: C31 H37 Cl6 N3 O6
• Title of publication: Synthesis of 3-indolyl all-carbon quaternary centers <i>via</i> Rh/Brønsted acid co-catalyzed three-component reactions of azoalkenes with indoles and diazoacetates.
• Authors of publication: Yue, Xiao-Jing; Pei, Li-Ping; Wang, Min-Can; Jia, Shi-Kun; Mei, Guang-Jian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 5323 - 5327
• a: 12.7618 ± 0.0005 Å
• b: 13.0621 ± 0.0006 Å
• c: 13.4282 ± 0.0007 Å
• α: 113.796 ± 0.005°
• β: 90.707 ± 0.004°
• γ: 110.206 ± 0.004°
• Cell volume: 1891.85 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No