Information card for entry 4301930

Structure parameters

• Formula: C28 H26 N2 O2
• Calculated formula: C28 H26 N2 O2
• SMILES: Oc1ccc2c(c1\C=N/[C@@H]1CCCC[C@H]1/[NH+]=C/c1c3c(ccc1[O-])cccc3)cccc2
• Title of publication: Synthesis, Characterization, and Application of Vanadium-Salan Complexes in Oxygen Transfer Reactions
• Authors of publication: Pedro Adão; João Costa Pessoa; Rui T. Henriques; Maxim L. Kuznetsov; Fernando Avecilla; Mannar R. Maurya; Umesh Kumar; Isabel Correia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3542 - 3561
• a: 9.3699 ± 0.0007 Å
• b: 9.4651 ± 0.0008 Å
• c: 25.339 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2247.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No