Information card for entry 1575859

Structure parameters

• Formula: C32 H23 N3 O2
• Calculated formula: C32 H23 N3 O2
• Title of publication: Enantioselective synthesis of C-C and C-N axially chiral pyrazole-based heterobiaryls.
• Authors of publication: He, Jun; Yang, Zun; Lin, Lili; Feng, Xiaoming
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 20021 - 20029
• a: 9.7807 ± 0.0002 Å
• b: 12.8377 ± 0.0002 Å
• c: 20.0417 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2516.47 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No