Information card for entry 1547464

Structure parameters

• Formula: C20 H18 N2 O2
• Calculated formula: C20 H18 N2 O2
• Title of publication: 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes
• Authors of publication: Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2017
• a: 11.5272 ± 0.0007 Å
• b: 12.3657 ± 0.0007 Å
• c: 12.7398 ± 0.0008 Å
• α: 100.159 ± 0.002°
• β: 112.561 ± 0.002°
• γ: 92.319 ± 0.002°
• Cell volume: 1638.97 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0636
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No