Information card for entry 4078353

Structure parameters

• Formula: C20 H38 O8 V2
• Calculated formula: C20 H38 O8 V2
• SMILES: [V]123([O]4[V]5(O[C@H](C([C@@H]([O]15)CC)[C@@H](O2)CC)CC)(O[C@H](C([C@@H]4CC)[C@@H](O3)CC)CC)=O)=O
• Title of publication: New ChiralC3-Symmetric Triols as Ligands for Vanadium and Titanium Complexes†
• Authors of publication: Lütjens, Henning; Wahl, Günter; Möller, Frank; Knochel, Paul; Sundermeyer, Jörg
• Journal of publication: Organometallics
• Year of publication: 1997
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5869
• a: 12.97 ± 0.004 Å
• b: 13.503 ± 0.002 Å
• c: 14.567 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2551.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.1129
• Weighted residual factors for significantly intense reflections: 0.0862
• Goodness-of-fit parameter for all reflections: 1.155
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No