Information card for entry 7246565

Structure parameters

• Formula: C19 H17 B Br F3 N2 S
• Calculated formula: C19 H17 B Br F3 N2 S
• Title of publication: A new green-to-blue upconversion system with efficient photoredox catalytic properties.
• Authors of publication: Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 12041 - 12049
• a: 16.7902 ± 0.0017 Å
• b: 16.967 ± 0.0016 Å
• c: 17.0009 ± 0.0015 Å
• α: 117.894 ± 0.003°
• β: 101.58 ± 0.004°
• γ: 107.565 ± 0.004°
• Cell volume: 3729.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No