Information card for entry 7121948

Structure parameters

• Formula: C22 H22 N2 O Pd S
• Calculated formula: C22 H22 N2 O Pd S
• Title of publication: Palladium-catalyzed C(carbonyl)-C bond cleavage of amides: a facile access to phenylcarbamate derivatives with alcohols.
• Authors of publication: Yan, Xufei; Sun, Huihui; Xiang, Haifeng; Yu, Da-Gang; Luo, Daibing; Zhou, Xiangge
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 62
• Pages of publication: 8606 - 8609
• a: 9.4594 ± 0.0003 Å
• b: 11.2077 ± 0.0004 Å
• c: 19.4065 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2057.44 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No