Information card for entry 7135801

Structure parameters

• Formula: C42 H36 N4 O6 S2
• Calculated formula: C42 H36 N4 O6 S2
• Title of publication: Catalyst-Free Synthesis of α-Carboline Derivatives via Chromone Skeleton Remodeling
• Authors of publication: Fu, Wenting; Li, Sifeng; Li, Peng; Cheng, Bin; Zhang, Wenjun; Zhang, Ying; Zhou, Kang; Zhai, Hongbin; Wang, Taimin; Yang, Dezhi
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 17.0112 ± 0.0005 Å
• b: 10.9345 ± 0.0003 Å
• c: 23.5496 ± 0.0006 Å
• α: 90°
• β: 104.293 ± 0.002°
• γ: 90°
• Cell volume: 4244.8 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No