Information card for entry 4022957

Structure parameters

• Formula: C18 H27 N O6 V
• Calculated formula: C18 H27 N O6 V
• SMILES: [V]12(Oc3c(C(C)(C)C)cccc3C=[N]2[C@H](C(C)C)C(=O)O1)(=O)(OC)OC
• Title of publication: Asymmetric Aerobic Oxidation of α-Hydroxy Acid Derivatives by C~4~-Symmetric, Vanadate-Centered, Tetrakisvanadyl(V) Clusters Derived from N-Salicylidene-α-aminocarboxylates
• Authors of publication: Chien-Tien Chen; Sampada Bettigeri; Shiue-Shien Weng; Vijay D. Pawar; Ya-Hui Lin; Cheng-Yuan Liu; Way-Zen Lee
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8175 - 8185
• a: 26.568 ± 0.0009 Å
• b: 6.663 ± 0.0002 Å
• c: 12.383 ± 0.0005 Å
• α: 90°
• β: 107.242 ± 0.002°
• γ: 90°
• Cell volume: 2093.56 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No