Information card for entry 7133741

Structure parameters

• Chemical name: SK-N3-74
• Formula: C31 H27 Br N2 O2 S
• Calculated formula: C31 H27 Br N2 O2 S
• Title of publication: Copper-catalyzed (4+3)-cycloaddition of 4-indolylcarbinols with aziridines: stereoselective synthesis of azepinoindoles
• Authors of publication: Kar, Subhradeep; Maharana, Prabhat Kumar; Maity, Swagata; Trivedi, Vishal; Punniyamurthy, Tharmalingam
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 8.3606 ± 0.0012 Å
• b: 10.4276 ± 0.0016 Å
• c: 15.974 ± 0.002 Å
• α: 92.585 ± 0.004°
• β: 105.246 ± 0.004°
• γ: 95.304 ± 0.004°
• Cell volume: 1334.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No