Information card for entry 7134992

Structure parameters

• Formula: C28.5 H21 Br Cl O4
• Calculated formula: C28.5 H21 Br Cl O4
• Title of publication: Remote asymmetric conjugate addition of naphthoquinone methides: constructing adjacent tertiary-quaternary carbon stereocenters.
• Authors of publication: Zhai, Jing-Jing; Lou, Shao-Jie; Zhang, Xiao-Xiao; Lan, Qiu-Yi; Jing, Cheng-Cheng; Mao, Yang-Jie; Wang, Yi-Feng; Chu, Ming-Ming; Xu, Dan-Qian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 85
• Pages of publication: 16644 - 16647
• a: 9.0354 ± 0.0005 Å
• b: 11.1067 ± 0.0006 Å
• c: 13.6619 ± 0.0008 Å
• α: 106.141 ± 0.002°
• β: 96.303 ± 0.002°
• γ: 107.287 ± 0.002°
• Cell volume: 1229.51 ± 0.12 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No