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Information card for entry 1562378
Preview
Coordinates | 1562378.cif |
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Original paper (by DOI) | HTML |
Chemical name | 3-Butyl-2-phenyl-1-tosyl-4-((triisopropylsilyl)oxy)-1,2-dihydrobenzofuro [3,2-b]pyridine |
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Formula | C37 H47 N O4 S Si |
Calculated formula | C37 H47 N O4 S Si |
Title of publication | An Unusual Formal Migrative Cycloaddition of Aurone-derived Azadienes: Synthesis of Benzofuran-fused Nitrogen Heterocycles |
Authors of publication | Feng, Qiang; Wu, An; Zhang, Xinhao; Song, Lijuan; Sun, Jianwei |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 16.6691 ± 0.001 Å |
b | 10.8205 ± 0.0005 Å |
c | 20.3333 ± 0.0013 Å |
α | 90° |
β | 112.297 ± 0.007° |
γ | 90° |
Cell volume | 3393.3 ± 0.4 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0726 |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for significantly intense reflections | 0.1655 |
Weighted residual factors for all reflections included in the refinement | 0.1728 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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264978 (current) | 2021-05-06 | cif/ Adding structures of 1562378, 1562379, 1562380 via cif-deposit CGI script. |
1562378.cif |
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