Information card for entry 7230150

Structure parameters

• Formula: C38 H48 N2 O2 S2
• Calculated formula: C38 H48 N2 O2 S2
• SMILES: S(c1ccccc1N/C(=C\C(=O)C(C)(C)C)c1cccc(c1)C(/Nc1ccccc1SCCC)=C/C(=O)C(C)(C)C)CCC
• Title of publication: Synthesis, characterization and olefin polymerization behaviors of phenylene-bridged bis-β-carbonylenamine binuclear titanium complexes
• Authors of publication: Luo, Derong; Zeng, Yi; Chen, Xiong; Xia, Ping; Xie, Guangyong; You, Qingliang; Zhang, Li; Li, Tingcheng; Li, Xiangdan; Zhang, Aiqing
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 6954
• a: 14.149 ± 0.005 Å
• b: 10.258 ± 0.003 Å
• c: 24.194 ± 0.008 Å
• α: 90°
• β: 96.71 ± 0.006°
• γ: 90°
• Cell volume: 3487 ± 2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.1988
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No