Information card for entry 4309145

Structure parameters

• Formula: C26 H34 Cl4 N2 O4 Ti
• Calculated formula: C26 H34 Cl4 N2 O4 Ti
• SMILES: [C@H]12[C@@H](CCCC1)[NH]1[Ti]3(Oc4c(C[NH]23)cc(cc4Cl)Cl)(OC(C)C)(Oc2c(C1)cc(cc2Cl)Cl)OC(C)C
• 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: 14.947 ± 0.0005 Å
• b: 14.947 ± 0.0005 Å
• c: 13.199 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2948.83 ± 0.15 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No