Information card for entry 7123683

Structure parameters

• Formula: C16 H17 Br O
• Calculated formula: C16 H17 Br O
• Title of publication: Gold(I)-Catalyzed Cascade Cyclization of O-Tethered 1,7-Enynes Bearing a Cyclopropane Moiety: Construction of multi-Substituted Furans
• Authors of publication: Shi, Min; Zang, Wenqing; Wei, Yin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.1989 ± 0.0004 Å
• b: 7.7847 ± 0.0003 Å
• c: 31.7495 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2767.92 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No