Information card for entry 1576530

Structure parameters

• Formula: C24 H28 Cl N3 O2
• Calculated formula: C24 H28 Cl N3 O2
• 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: 8.6243 ± 0.0003 Å
• b: 9.9669 ± 0.0003 Å
• c: 16.191 ± 0.0005 Å
• α: 78.743 ± 0.001°
• β: 82.724 ± 0.001°
• γ: 82.149 ± 0.002°
• Cell volume: 1344.99 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No