Information card for entry 7231455

Structure parameters

• Formula: C21 H18 Br N O
• Calculated formula: C21 H18 Br N O
• Title of publication: Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes
• Authors of publication: Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 53
• Pages of publication: 30374
• a: 11.3526 ± 0.0006 Å
• b: 38.9014 ± 0.0018 Å
• c: 13.5468 ± 0.0007 Å
• α: 90°
• β: 114.621 ± 0.002°
• γ: 90°
• Cell volume: 5438.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No