Information card for entry 7004894

Structure parameters

• Common name: Ethoxo(2-oxo-3,5-di-tert-butylbenzaldehyde 2S-(1R,3- diphenylpropoxo) imine)oxovanadium(V)
• Formula: C32 H40 N O4 V
• Calculated formula: C32 H40 N O4 V
• SMILES: [V]12([N]([C@H]([C@H](O1)c1ccccc1)Cc1ccccc1)=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)(OCC)=O
• Title of publication: Synthesis, characterization, and structures of oxovanadium(V) complexes of Schiff bases of beta-amino alcohols as tunable catalysts for the asymmetric oxidation of organic sulfides and asymmetric alkynylation of aldehydes.
• Authors of publication: Hsieh, Sheng-Hsiung; Kuo, Ya-Pei; Gau, Han-Mou
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 97 - 106
• a: 6.3509 ± 0.0004 Å
• b: 19.3947 ± 0.0012 Å
• c: 25.8562 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3184.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No