Information card for entry 4315798

Structure parameters

• Formula: C15 H12 N O7 V
• Calculated formula: C15 H12 N O7 V
• SMILES: [V]123(=O)(OC(=O)c4[n]3c(ccc4)C(=O)O1)[O](c1ccccc1)CCO2
• Title of publication: Aerobic Oxidation of Lignin Models Using a Base Metal Vanadium Catalyst
• Authors of publication: Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; David L. Thorn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5611 - 5618
• a: 8.7744 ± 0.001 Å
• b: 12.1686 ± 0.0014 Å
• c: 13.4618 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1437.3 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0507
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No