Information card for entry 1568580

Structure parameters

• Formula: C30 H28 N2
• Calculated formula: C30 H28 N2
• Title of publication: Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency
• Authors of publication: Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor
• Journal of publication: Catalysts
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 386
• a: 8.916 ± 0.0007 Å
• b: 11.0941 ± 0.001 Å
• c: 12.5663 ± 0.001 Å
• α: 94.783 ± 0.003°
• β: 103.724 ± 0.003°
• γ: 107.064 ± 0.003°
• Cell volume: 1138.58 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No