Information card for entry 7002555

Structure parameters

• Formula: C24 H23 N O S
• Calculated formula: C24 H23 N O S
• SMILES: S(c1ccccc1N/C(=C\C(=O)c1ccccc1)C)c1c(cccc1C)C
• Title of publication: Synthesis, characterization, and catalytic behaviours of β-carbonylenamine-derived [O−NS]TiCl3 complexes in ethylene homo- and copolymerization
• Authors of publication: Yang, Xiao-Hong; Wang, Zheng; Sun, Xiu-Li; Tang, Yong
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 8945 - 8954
• a: 21.6646 ± 0.0019 Å
• b: 8.01 ± 0.0007 Å
• c: 24.36 ± 0.002 Å
• α: 90°
• β: 106.432 ± 0.002°
• γ: 90°
• Cell volume: 4054.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.159
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No