Information card for entry 1513551

Structure parameters

• Formula: C28 H26 Cl2 O2 Pd2 S2
• Calculated formula: C28 H26 Cl2 O2 Pd2 S2
• SMILES: [Pd]12([Cl][Pd]3([Cl]1)[S](=O)(Cc1c3cccc1)c1ccc(cc1)C)[S](=O)(Cc1c2cccc1)c1ccc(cc1)C
• Title of publication: Palladium(II)-catalyzed ortho-olefination of arenes applying sulfoxides as remote directing groups.
• Authors of publication: Wang, Binjie; Shen, Chuang; Yao, Jinzhong; Yin, Hong; Zhang, Yuhong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 46 - 49
• a: 18.1408 ± 0.001 Å
• b: 15.6808 ± 0.0006 Å
• c: 19.7387 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5614.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No