Information card for entry 4135476

Structure parameters

• Formula: C30 H23 Br Cl2 N4 O5 S
• Calculated formula: C30 H23 Br Cl2 N4 O5 S
• Title of publication: Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis
• Authors of publication: Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.1732 ± 0.0005 Å
• b: 10.8571 ± 0.0005 Å
• c: 14.6473 ± 0.0007 Å
• α: 71.482 ± 0.005°
• β: 78.632 ± 0.006°
• γ: 79.222 ± 0.006°
• Cell volume: 1490.43 ± 0.13 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.1436
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No