Information card for entry 1577114

Structure parameters

• Formula: C29 H23 N O2
• Calculated formula: C29 H23 N O2
• Title of publication: Electrochemically Driven Strain-Release Dearomative (3+2) Cyclization for the Synthesis of Bicyclo[2.1.1]hexane-Fused Polycyclic Spiroindolines
• Authors of publication: Zhu, Yanren; Pu, Enfan; Yang, Shaoxiong; Zhao, Dongbo; Xu, Qi; Jiang, Piaopiao; Li, Xiong; Zhang, Hongbin; Chen, Jingbo
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 14.9928 ± 0.0005 Å
• b: 10.7897 ± 0.0004 Å
• c: 14.3627 ± 0.0005 Å
• α: 90°
• β: 117.026 ± 0.001°
• γ: 90°
• Cell volume: 2069.71 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No