Information card for entry 1576087

Structure parameters

• Chemical name: 0
• Formula: C21 H21 N O4
• Calculated formula: C21 H21 N O4
• Title of publication: Chemo- and Atroposelective Boc Protection for Asymmetric Synthesis of NH2-Free Axially Chiral Biaryl Amino Phenols
• Authors of publication: Wang, Yangyang; Wang, Yike; Xu, Zhe; Chen, Kexin; Liu, Ying-Guo; Chen, Xingkuan; Zhou, Hongwei; Xu, Jianfeng
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 7.3684 ± 0.0007 Å
• b: 14.5095 ± 0.0011 Å
• c: 17.8628 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1909.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1127
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2227
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No