Information card for entry 4309146

Structure parameters

• Formula: C28 H38 Cl4 N2 O4 Ti
• Calculated formula: C28 H38 Cl4 N2 O4 Ti
• SMILES: C1c2cc(cc(c2O[Ti]23([N]1(C)[C@@H]1CCCC[C@H]1[N]2(Cc1cc(cc(c1O3)Cl)Cl)C)(OC(C)C)OC(C)C)Cl)Cl
• Title of publication: Diastereoisomerically Selective Enantiomerically Pure Titanium Complexes of Salan Ligands: Synthesis, Structure, and Preliminary Activity Studies
• Authors of publication: Adi Yeori; Stanislav Groysman; Israel Goldberg; Moshe Kol
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4466 - 4468
• a: 15.067 ± 0.0005 Å
• b: 15.067 ± 0.0005 Å
• c: 13.135 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2981.84 ± 0.18 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No