Information card for entry 1576508

Structure parameters

• Formula: C27 H26 N2 O2 S
• Calculated formula: C27 H26 N2 O2 S
• Title of publication: Asymmetric vicinal C(sp³)-H difunctionalization of saturated cyclic amines <i>via</i> synergistic photoredox, copper and chiral phosphoric acid catalysis.
• Authors of publication: Xiao, Teng-Fei; Jian, Ke-Rui; Gu, Yu-Cheng; Xu, Guo-Qiang; Xu, Peng-Fei
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 3240 - 3247
• a: 10.2979 ± 0.0001 Å
• b: 11.7884 ± 0.0001 Å
• c: 19.1733 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2327.56 ± 0.04 ų
• Cell temperature: 275.8 ± 0.1 K
• Ambient diffraction temperature: 275.8 ± 0.1 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: 0.039
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No