Information card for entry 7234396

Structure parameters

• Formula: C19 H12 Br3 N O
• Calculated formula: C19 H12 Br3 N O
• Title of publication: Enantioselective bromination of axially chiral cyanoarenes in the presence of bifunctional organocatalysts
• Authors of publication: Wada, Yuuki; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 54
• Pages of publication: 31654
• a: 12.3302 ± 0.0014 Å
• b: 7.9001 ± 0.0009 Å
• c: 18.63 ± 0.002 Å
• α: 90°
• β: 96.052 ± 0.007°
• γ: 90°
• Cell volume: 1804.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No