Information card for entry 4126062

Structure parameters

• Formula: C22 H32 O4
• Calculated formula: C22 H32 O4
• Title of publication: Scalable, Electrochemical Oxidation of Unactivated C-H Bonds.
• Authors of publication: Kawamata, Yu; Yan, Ming; Liu, Zhiqing; Bao, Deng-Hui; Chen, Jinshan; Starr, Jeremy T.; Baran, Phil S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 22
• Pages of publication: 7448 - 7451
• a: 6.4628 ± 0.0003 Å
• b: 12.406 ± 0.0005 Å
• c: 13.1362 ± 0.0006 Å
• α: 70.445 ± 0.001°
• β: 86.393 ± 0.001°
• γ: 76.913 ± 0.001°
• Cell volume: 966.61 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No