Information card for entry 7247843

Structure parameters

• Formula: C26 H23 N O6
• Calculated formula: C26 H23 N O6
• SMILES: c1(c(c(c2c3ccccc3c(c(c3ccccc3)n12)CC)C(=O)OC)C(=O)OC)C(=O)OC
• Title of publication: A domino reaction for the synthesis of pyrrolo[2,1-a]isoquinolines from 2-aryl-pyrrolidines and alkynes promoted by a four-component catalytic system under aerobic conditions
• Authors of publication: Luo, Zheng; Hu, Huayou; Wang, Chao; Yang, Zhen; Wang, Yefei
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 50
• Pages of publication: 35617 - 35620
• a: 11.3722 ± 0.0004 Å
• b: 10.3911 ± 0.0004 Å
• c: 18.8309 ± 0.0008 Å
• α: 90°
• β: 96.105 ± 0.002°
• γ: 90°
• Cell volume: 2212.62 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No