Information card for entry 7160531

Structure parameters

• Chemical name: yy-1
• Formula: C32 H26 Br N O5 S
• Calculated formula: C32 H26 Br N O5 S
• Title of publication: Chiral Brønsted acid-catalyzed intermolecular hydrophenoxylation of ynamides with biaryl phenols <i>via</i> sequential desymmetrization/kinetic resolution.
• Authors of publication: Yu, Yu; Chen, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 5318 - 5322
• a: 6.3191 ± 0.0006 Å
• b: 21.29 ± 0.002 Å
• c: 21.29 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2864.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No