Information card for entry 4125622

Structure parameters

• Formula: C16 H16 O
• Calculated formula: C16 H16 O
• SMILES: O1Cc2c(cccc2)c2c(CCC1)cccc2
• Title of publication: Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus π-Complexation.
• Authors of publication: Corrie, Tom J. A.; Ball, Liam T.; Russell, Christopher A.; Lloyd-Jones, Guy C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 1
• Pages of publication: 245 - 254
• a: 13.92506 ± 0.00015 Å
• b: 7.62053 ± 0.00008 Å
• c: 22.4351 ± 0.0002 Å
• α: 90°
• β: 90.4854 ± 0.0009°
• γ: 90°
• Cell volume: 2380.65 ± 0.04 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No