Information card for entry 7712090

Structure parameters

• Formula: C39 H57 O4 V
• Calculated formula: C39 H57 O4 V
• SMILES: [V]1(Oc2c(C34CC5CC(C3)CC(C4)C5)cc(cc2Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)(OC(C)(C)C)=O
• Title of publication: Synthesis and molecular structural studies of racemic chiral-at-vanadium(V) complexes using an unsymmetric achiral phenolic bidentate ligand.
• Authors of publication: Nagata, Koichi; Hino, Ayako; Ube, Hitoshi; Sato, Hiroyasu; Shionoya, Mitsuhiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 3295 - 3299
• a: 11.3936 ± 0.0003 Å
• b: 13.2903 ± 0.0003 Å
• c: 13.406 ± 0.0003 Å
• α: 75.111 ± 0.002°
• β: 69.895 ± 0.002°
• γ: 75.358 ± 0.002°
• Cell volume: 1811.79 ± 0.08 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No