Information card for entry 4343986

Structure parameters

• Formula: C32 H32 N6 O2
• Calculated formula: C32 H32 N6 O2
• SMILES: c1(cc(c(cc1CN(Cc1ncccc1)Cc1ncccc1)O)CN(Cc1ccccn1)Cc1ncccc1)O
• Title of publication: Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.
• Authors of publication: Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7218 - 7229
• a: 8.5184 ± 0.0005 Å
• b: 8.8638 ± 0.0004 Å
• c: 9.6279 ± 0.0005 Å
• α: 85.629 ± 0.004°
• β: 75.918 ± 0.005°
• γ: 80.203 ± 0.004°
• Cell volume: 694.37 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0609
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No