Information card for entry 1557083

Structure parameters

• Formula: C26 H24 O6
• Calculated formula: C26 H24 O6
• SMILES: O(c1cc(c(O)c(c1)c1c2c(c(O)cc1)cccc2)c1cc(OC)c(OC)cc1OC)C
• Title of publication: Sulfoxide-mediated oxidative cross-coupling of phenols
• Authors of publication: He, Zhen; Perry, Gregory J. P.; Procter, David J.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2001 - 2005
• a: 14.145 ± 0.002 Å
• b: 7.441 ± 0.001 Å
• c: 24.56 ± 0.004 Å
• α: 90°
• β: 96.17 ± 0.013°
• γ: 90°
• Cell volume: 2570 ± 0.7 ų
• Cell temperature: 149.9 ± 0.3 K
• Ambient diffraction temperature: 149.9 ± 0.3 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: 0.1401
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No