Information card for entry 4318403

Structure parameters

• Formula: C26 H34 N O6 V
• Calculated formula: C26 H34 N O6 V
• SMILES: [V]123([N]([C@H](C(=O)O1)C(C)C)=Cc1ccccc1O2)(=O)[OH]c1cc(cc(C(C)(C)C)c1O3)C(C)(C)C
• Title of publication: A Family of Vanadate Esters of Monoionized and Diionized Aromatic 1,2-Diols: Synthesis, Structure, and Redox Activity
• Authors of publication: Bharat Baruah; Samir Das; Animesh Chakravorty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4502 - 4508
• a: 23.754 ± 0.005 Å
• b: 23.754 ± 0.005 Å
• c: 12.836 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6272 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections: 0.1461
• Weighted residual factors for significantly intense reflections: 0.1344
• Goodness-of-fit parameter for all reflections: 1.089
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No