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Information card for entry 7156101
Preview
Coordinates | 7156101.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H23 N O2 |
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Calculated formula | C32 H23 N O2 |
SMILES | n12c(c(c(c1c1ccccc1CC2)C(=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1 |
Title of publication | Copper-catalyzed aerobic cyclizations of tetrahydroisoquinolines with bromoketones and alkenes for the synthesis of 5,6-dihydropyrrolo[2,1-a]isoquinolines. |
Authors of publication | Wang, Wenhui; Sun, Jinwei; Hu, Huayou; Liu, Yun |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 10 |
Pages of publication | 1651 - 1658 |
a | 8.1795 ± 0.0014 Å |
b | 11.924 ± 0.007 Å |
c | 14.235 ± 0.002 Å |
α | 108.105 ± 0.0016° |
β | 96.245 ± 0.0016° |
γ | 108.712 ± 0.0015° |
Cell volume | 1215.9 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0886 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1145 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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