Information card for entry 4513901

Structure parameters

• Common name: SKL-20150330
• Formula: C25 H22 N2 O6 S
• Calculated formula: C25 H22 N2 O6 S
• SMILES: c1(ccc(cc1)C(=O)OC(=C\N(CC=C)S(=O)(=O)c1ccc(cc1)C)/c1ccccc1)N(=O)=O
• 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: 6.3051 ± 0.0004 Å
• b: 8.242 ± 0.0005 Å
• c: 21.9792 ± 0.0014 Å
• α: 90.797 ± 0.004°
• β: 96.108 ± 0.003°
• γ: 96.816 ± 0.003°
• Cell volume: 1127.27 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.115
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No