Information card for entry 1570547

Structure parameters

• Formula: C36 H26 Cl Cu N3 O4 S2
• Calculated formula: C36 H26 Cl Cu N3 O4 S2
• Title of publication: Mechanistic insights into radical formation and functionalization in copper/<i>N</i>-fluorobenzenesulfonimide radical-relay reactions.
• Authors of publication: Mandal, Mukunda; Buss, Joshua A.; Chen, Si-Jie; Cramer, Christopher J.; Stahl, Shannon S.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1364 - 1373
• a: 10.232 ± 0.003 Å
• b: 10.735 ± 0.004 Å
• c: 16.557 ± 0.008 Å
• α: 85.248 ± 0.014°
• β: 72.999 ± 0.017°
• γ: 74.424 ± 0.014°
• Cell volume: 1675.3 ± 1.1 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 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: 0.06
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No