Information card for entry 7123474

Structure parameters

• Formula: C17 H16 Br N O
• Calculated formula: C17 H16 Br N O
• Title of publication: A Palladium/Norbornene Cooperative Catalysis to Access N-Containing Bridged Scaffolds
• Authors of publication: Gao, Qianwen; Liu, Ze-Shui; Hua, Yu; Li, Lisha; Cheng, Hong-Gang; Cong, Hengjiang; Zhou, Qianghui
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 23.7222 ± 0.0013 Å
• b: 10.0218 ± 0.0006 Å
• c: 14.503 ± 0.0008 Å
• α: 90°
• β: 125.646 ± 0.002°
• γ: 90°
• Cell volume: 2801.9 ± 0.3 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No