Information card for entry 4038449

Structure parameters

• Formula: C27 H21 Cl F N O5 S
• Calculated formula: C27 H21 Cl F N O5 S
• 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: 8.0056 ± 0.0014 Å
• b: 11.2427 ± 0.0019 Å
• c: 13.774 ± 0.003 Å
• α: 88.955 ± 0.015°
• β: 80.052 ± 0.016°
• γ: 89.787 ± 0.014°
• Cell volume: 1220.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No