Information card for entry 1520714

Structure parameters

• Chemical name: meso L1
• Formula: C28 H28 N2 O4 S4
• Calculated formula: C28 H28 N2 O4 S4
• Title of publication: Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach
• Authors of publication: Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5491
• a: 6.5498 ± 0.0004 Å
• b: 20.4037 ± 0.0013 Å
• c: 11.0725 ± 0.0009 Å
• α: 90°
• β: 100.469 ± 0.003°
• γ: 90°
• Cell volume: 1455.1 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No