Information card for entry 4513900

Structure parameters

• Common name: SKL-20150804
• Formula: C29 H20 N O3 S
• Calculated formula: C29 H20 N O3 S
• Title of publication: Cooperative Pd(0)/Rh(II) Dual Catalysis: Interceptive Capturing of π-Allyl Pd(II) Complexes with α-Imino Rh(II) Carbenoids
• Authors of publication: Chen, Zi-Sheng; Huang, Liang-Zhu; Jeon, Hyun Ji; Xuan, Zi; Lee, Sang-gi
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4914
• a: 9.8908 ± 0.0002 Å
• b: 10.8195 ± 0.0003 Å
• c: 12.6228 ± 0.0003 Å
• α: 82.7016 ± 0.0013°
• β: 87.4478 ± 0.0012°
• γ: 81.7877 ± 0.0013°
• Cell volume: 1325.65 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2758
• Weighted residual factors for all reflections included in the refinement: 0.3058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No