Information card for entry 1567096

Structure parameters

• Formula: C8 H7.33 Br2 O0.67
• Calculated formula: C8 H7.33333 Br2 O0.666667
• Title of publication: Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.
• Authors of publication: Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 26
• Pages of publication: 7886 - 7891
• a: 7.6142 ± 0.0004 Å
• b: 7.1461 ± 0.0004 Å
• c: 12.6645 ± 0.0007 Å
• α: 90°
• β: 106.526 ± 0.006°
• γ: 90°
• Cell volume: 660.63 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No