Information card for entry 7157079

Structure parameters

• Formula: C18 H13 Br O4
• Calculated formula: C18 H13 Br O4
• Title of publication: Catalytic asymmetric synthesis of 2,5-dihydrofurans using synergistic bifunctional Ag catalysis.
• Authors of publication: Shi, Taoda; Teng, Shenghan; Gopi Krishna Reddy, Alavala; Guo, Xin; Zhang, Yueteng; Moore, Kohlson T.; Buckley, Thomas; Mason, Damian J.; Wang, Wei; Chapman, Eli; Hu, Wenhao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 38
• Pages of publication: 8737 - 8744
• a: 8.8995 ± 0.0004 Å
• b: 12.8103 ± 0.0006 Å
• c: 13.9893 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1594.85 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No