Information card for entry 7133740

Structure parameters

• Chemical name: SK-N3-1
• Formula: C31 H28 N2 O2 S
• Calculated formula: C31 H28 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: 28.29 ± 0.004 Å
• b: 9.2132 ± 0.0014 Å
• c: 20.312 ± 0.003 Å
• α: 90°
• β: 103.531 ± 0.004°
• γ: 90°
• Cell volume: 5147.2 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No