Information card for entry 1576853

Structure parameters

• Formula: C14 H17 Br O
• Calculated formula: C14 H17 Br O
• Title of publication: Enantioselective cyclization of bromoenynes: mechanistic understanding of gold(i)-catalyzed alkoxycyclizations.
• Authors of publication: Cataffo, Andrea; García-Padilla, Eduardo; Escofet, Imma; Fincias, Nicolás; Arnanz, Anna; Zuccarello, Giuseppe; Tian, Guilong; Cai, Luyu; Khorasanidarehdor, Fereshteh; Maseras, Feliu; Echavarren, Antonio M.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 5005 - 5015
• a: 7.2267 ± 0.0012 Å
• b: 11.976 ± 0.002 Å
• c: 14.973 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1295.9 ± 0.4 ų
• Cell temperature: 100.4 K
• Ambient diffraction temperature: 100.4 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: 0.0298
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No