Information card for entry 7231617

Structure parameters

• Formula: C11 H16 Br N O
• Calculated formula: C11 H16 Br N O
• Title of publication: An efficient and atom-economical route to N-aryl amino alcohols from primary amines
• Authors of publication: Xiao, Zhen; Li, Juanjuan; Yue, Qiang; Zhang, Qian; Li, Dong
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 60
• Pages of publication: 34304
• a: 12.1817 ± 0.0007 Å
• b: 6.0879 ± 0.0003 Å
• c: 15.7708 ± 0.0008 Å
• α: 90°
• β: 102.615 ± 0.005°
• γ: 90°
• Cell volume: 1141.34 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No