Information card for entry 7130439

Structure parameters

• Formula: C26 H22 Br Cl O2
• Calculated formula: C26 H22 Br Cl O2
• Title of publication: KOtBu-promoted Michael/aldol/ring-opening cascade reaction of cyclobutanones with chalcones
• Authors of publication: Wang, Biao; Zhong, Han; Tian, Xu
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.0573 ± 0.0007 Å
• b: 18.127 ± 0.002 Å
• c: 33.894 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4336 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0802
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No