Information card for entry 4132238

Structure parameters

• Formula: C32 H30 O14.05
• Calculated formula: C32 H30 O14.049
• Title of publication: Asymmetric Synthesis of Gonytolide A: Strategic Use of an Aryl Halide Blocking Group for Oxidative Coupling.
• Authors of publication: Wu, Xiaowei; Iwata, Takayuki; Scharf, Adam; Qin, Tian; Reichl, Kyle D.; Porco, Jr, John A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 18
• Pages of publication: 5969 - 5975
• a: 12.8266 ± 0.0006 Å
• b: 13.9034 ± 0.0007 Å
• c: 16.8142 ± 0.0008 Å
• α: 90°
• β: 101.097 ± 0.002°
• γ: 90°
• Cell volume: 2942.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.89 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No