Information card for entry 7212909

Structure parameters

• Formula: C20 H44 Cu F6 N8 O4 P5 S2
• Calculated formula: C20 H44 Cu F6 N8 O4 P5 S2
• Title of publication: A highly efficient copper(i) catalyst for the 1,3-dipolar cycloaddition of azides with terminal and 1-iodoalkynes in water: regioselective synthesis of 1,4-disubstituted and 1,4,5-trisubstituted 1,2,3-triazoles
• Authors of publication: García-Álvarez, Joaquín; Díez, Josefina; Gimeno, José
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 2127
• a: 10.4612 ± 0.0002 Å
• b: 11.6733 ± 0.0002 Å
• c: 15.4745 ± 0.0002 Å
• α: 80.696 ± 0.001°
• β: 70.225 ± 0.001°
• γ: 83.182 ± 0.001°
• Cell volume: 1750.69 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No