Information card for entry 1574886

Structure parameters

• Formula: C17 H15 Br N2 O
• Calculated formula: C17 H15 Br N2 O
• Title of publication: Asymmetric intramolecular reductive coupling of bisimines templated by chiral diborons.
• Authors of publication: Chen, Tian; Wang, Hao-Yang; Xu, Ronghua; Xu, Guangqing; Yang, He; Sun, Jiangtao; Chung, Lung Wa; Tang, Wenjun
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 13298 - 13305
• a: 5.1594 ± 0.0004 Å
• b: 15.095 ± 0.0011 Å
• c: 18.2386 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1420.44 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No