Information card for entry 7133421

Structure parameters

• Formula: C27 H18 Br N O
• Calculated formula: C27 H18 Br N O
• Title of publication: Construction of central and axial chirality <i>via</i> Pd(II)/Bim-catalyzed asymmetric dearomative Michael reaction of polycyclic tropones.
• Authors of publication: Liu, Zi-Li; Wang, Yu-Xin; Yang, Zi-Qi; Yang, Yu-Heng; Liu, Yin-Ping; Hao, Wen-Juan; Jiang, Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 67
• Pages of publication: 8908 - 8911
• a: 8.151 ± 0.006 Å
• b: 12.057 ± 0.009 Å
• c: 19.765 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1942 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No