Information card for entry 4126283

Structure parameters

• Formula: C18 H22 O2
• Calculated formula: C18 H22 O2
• Title of publication: Cobalt Catalysis for Enantioselective Cyclobutanone Construction.
• Authors of publication: Kim, Daniel K.; Riedel, Jan; Kim, Raphael S.; Dong, Vy M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 15.9373 ± 0.0006 Å
• b: 6.0706 ± 0.0002 Å
• c: 16.2408 ± 0.0006 Å
• α: 90°
• β: 105.336 ± 0.002°
• γ: 90°
• Cell volume: 1515.33 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No