Information card for entry 7133771

Structure parameters

• Formula: C23 H17 N O2 S
• Calculated formula: C23 H17 N O2 S
• Title of publication: External photocatalyst-free photocycloaddition between triplet vinylnitrenes with 1,3-biradical character and activated olefins under 420 nm LEDs
• Authors of publication: Malo, Sidhartha; Santra, Supriyo; Saha, Jayanta; Ghosh, Debashree; Das, Indrajit
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 7.4754 ± 0.0005 Å
• b: 9.5803 ± 0.0007 Å
• c: 25.2169 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1805.9 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No