Information card for entry 1547457

Structure parameters

• Formula: C24 H30 N8
• Calculated formula: C24 H30 N8
• SMILES: N(Cc1nnn(c1c1n(nnc1CN(C)C)Cc1ccccc1)Cc1ccccc1)(C)C
• 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: 9.4167 ± 0.0006 Å
• b: 14.0835 ± 0.0008 Å
• c: 17.8245 ± 0.001 Å
• α: 80.071 ± 0.002°
• β: 89.817 ± 0.002°
• γ: 79.781 ± 0.002°
• Cell volume: 2290.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No