Information card for entry 7135680

Structure parameters

• Formula: C31 H28 N2 O4
• Calculated formula: C31 H28 N2 O4
• Title of publication: Silver catalysed asymmetric [3+2] cycloaddition for the construction of 5−5-membered 1,3'-indolyl pyrrole atropisomers
• Authors of publication: Deng, Zhengguo; Xie, Yan; Xiong, Chao; Lv, Jiayang; Chen, Xinyu; Yao, Jinzhong; Zhong, Weihui; Ling, Fei
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 11.773 ± 0.0004 Å
• b: 13.0922 ± 0.0005 Å
• c: 16.6122 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2560.51 ± 0.16 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0363
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No