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Information card for entry 7247842
Preview
Coordinates | 7247842.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H22 N2 O8 |
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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 Å3 |
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 |
Revision | Date | Message | Files |
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288110 (current) | 2023-12-07 | cif/ Adding structures of 7247842, 7247843 via cif-deposit CGI script. |
7247842.cif |
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