Information card for entry 1570202

Structure parameters

• Common name: CCS-1-407_250K
• Formula: C35 H34 F3 N3 O8 S
• Calculated formula: C35 H34 F3 N3 O8 S
• Title of publication: Trifluoromethylarylation of alkenes using anilines.
• Authors of publication: Corral Suarez, Carlos; Colomer, Ignacio
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 12083 - 12090
• a: 5.929 ± 0.0019 Å
• b: 13.676 ± 0.004 Å
• c: 20.842 ± 0.006 Å
• α: 86.336 ± 0.014°
• β: 88.961 ± 0.014°
• γ: 85.079 ± 0.015°
• Cell volume: 1680.2 ± 0.9 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No