Information card for entry 4103774

Structure parameters

• Formula: C17 H13 N3 O5 V
• Calculated formula: C17 H13 N3 O5 V
• SMILES: [V]12([n]3c(cccc3C(=O)O2)C(=O)O1)([n]1ccccc1)([n]1ccccc1)=O
• Title of publication: Aerobic Oxidation of Pinacol by Vanadium(V) Dipicolinate Complexes: Evidence for Reduction to Vanadium(III)
• Authors of publication: Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; Andrew D. Sutton; David L. Thorn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 428 - 429
• a: 9.6731 ± 0.0009 Å
• b: 9.8036 ± 0.0009 Å
• c: 16.6299 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1577 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No