Information card for entry 4038448

Structure parameters

• Formula: C28 H24 Cl N O4 S2
• Calculated formula: C28 H24 Cl N O4 S2
• Title of publication: Construction of [6-5-5-6-6] Pentacyclic Skeleton via Phosphine Catalyzed Domino Reaction and Mechanism Study.
• Authors of publication: Ma, Shanshan; Yu, Aimin; Zhang, Shunguang; Zhang, Lei; Meng, Xiangtai
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.0583 ± 0.0008 Å
• b: 10.8415 ± 0.001 Å
• c: 14.8495 ± 0.0014 Å
• α: 91.482 ± 0.008°
• β: 91.077 ± 0.008°
• γ: 98.721 ± 0.008°
• Cell volume: 1281.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No