Information card for entry 1575369

Structure parameters

• Formula: C33 H29 Cl N2 O2
• Calculated formula: C33 H29 Cl N2 O2
• Title of publication: Unveiling the migration reactivity of bicyclic diaziridines: enantioselective synthesis of chiral pyrazolines.
• Authors of publication: Liu, Zhili; Ning, Lichao; Yang, Bingqian; Wang, Kaixuan; Lin, Lili; Feng, Xiaoming
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 16584 - 16589
• a: 9.1293 ± 0.0001 Å
• b: 9.1293 ± 0.0001 Å
• c: 29.9464 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2161.47 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No