Information card for entry 7004895

Structure parameters

• Common name: (2-propoxo)(2-oxobenzaldehyde 2S-(1,1,3-triphenylpropoxo) imine)oxovanadium(V)
• Formula: C31 H30 N O4 V
• Calculated formula: C31 H30 N O4 V
• SMILES: [V]12(OC([C@@H]([N]2=Cc2ccccc2O1)Cc1ccccc1)(c1ccccc1)c1ccccc1)(OC(C)C)=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: 10.928 ± 0.0008 Å
• b: 12.6932 ± 0.001 Å
• c: 19.5875 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2717 ± 0.4 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: 0.0699
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No