Information card for entry 7103049

Structure parameters

• Formula: C34 H38 N2 Na O12 V2
• Calculated formula: C34 H34 N2 Na O12 V2
• SMILES: c12c3c(cc4ccccc14)C=[N]1[V]4(OC(=O)[C@@H]1C(C)(C)C)(O3)(=O)[OH][V]13([OH]4)(=O)OC(=O)[C@H](C(C)(C)C)[N]1=Cc1c(O3)c2c2ccccc2c1.[Na+].O.O.O
• Title of publication: Chiral dinuclear vanadium(v) catalysts for oxidative coupling of 2-naphthols.
• Authors of publication: Takizawa, Shinobu; Katayama, Tomomi; Kameyama, Chiaki; Onitsuka, Kiyotaka; Suzuki, Takeyuki; Yanagida, Takeshi; Kawai, Tomoji; Sasai, Hiroaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 1810 - 1812
• a: 20.439 ± 0.004 Å
• b: 20.439 ± 0.004 Å
• c: 16.317 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5903 ± 2 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 6
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No