Information card for entry 1576529

Structure parameters

• Formula: C32 H39 Br N4 O4
• Calculated formula: C32 H39 Br N4 O4
• Title of publication: Asymmetric Synthesis of Planar-chiral Metacyclophanes via Aromatic Amination enabled Enantioselective Desymmetrization
• Authors of publication: Zhou, Changyu; Zhou, Jinmiao; Zhang, Lele; Xie, Wansen; Gu, Huanchao; Liu, Hua; Yang, Xiaoyu
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 5.6989 ± 0.0006 Å
• b: 19.377 ± 0.002 Å
• c: 28.148 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3108.3 ± 0.6 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 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: 0.1673
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No