Information card for entry 7122539

Structure parameters

• Formula: C17 H23.4 Br N O2
• Calculated formula: C17 H23.4 Br N O2
• Title of publication: Trisubstituted alkenes with a single activator as dipolarophiles in a highly diastereo- and enantioselective [3+2] cycloaddition with vinyl epoxides under Pd-catalysis.
• Authors of publication: Du, Juan; Jiang, Yang-Jie; Suo, Jia-Jia; Wu, Wen-Qiong; Liu, Xiu-Yan; Chen, Di; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 93
• Pages of publication: 13143 - 13146
• a: 10.2614 ± 0.001 Å
• b: 21.747 ± 0.002 Å
• c: 40.341 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9002.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1936
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No