Information card for entry 7247842

Structure parameters

• Formula: C30 H22 N2 O8
• Calculated formula: C30 H22 N2 O8
• SMILES: c1(c(c(c2c3ccccc3c(c(c3ccc(cc3)N(=O)=O)n12)c1ccccc1)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: 10.4827 ± 0.0004 Å
• b: 11.1537 ± 0.0004 Å
• c: 12.5636 ± 0.0005 Å
• α: 77.997 ± 0.001°
• β: 76.934 ± 0.001°
• γ: 62.455 ± 0.001°
• Cell volume: 1259.59 ± 0.08 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No