Information card for entry 7120939

Structure parameters

• Formula: C31 H27 Br O7
• Calculated formula: C31 H27 Br O7
• Title of publication: Palladium-catalyzed carbene/alkyne metathesis with enynones as carbene precursors: synthesis of fused polyheterocycles.
• Authors of publication: Zheng, Yang; Bao, Ming; Yao, Ruwei; Qiu, Lihua; Xu, Xinfang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 350 - 353
• a: 20.5026 ± 0.001 Å
• b: 10.6536 ± 0.0006 Å
• c: 12.2454 ± 0.0007 Å
• α: 90°
• β: 90.321 ± 0.002°
• γ: 90°
• Cell volume: 2674.7 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No