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Information card for entry 1553830
Preview
Coordinates | 1553830.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H33 N O7 S |
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Calculated formula | C27 H33 N O7 S |
SMILES | S(=O)(=O)(N1C[C@@]2(O[C@@]3(c4c(COC3)cc(OC)cc4OC)C[C@@]2(CC1)C)C(=O)C)c1ccc(cc1)C.S(=O)(=O)(N1C[C@]2(O[C@]3(c4c(COC3)cc(OC)cc4OC)C[C@]2(CC1)C)C(=O)C)c1ccc(cc1)C |
Title of publication | Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters |
Authors of publication | Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2017 |
Journal volume | 4 |
Journal issue | 11 |
Pages of publication | 2109 |
a | 13.7047 ± 0.0006 Å |
b | 15.4463 ± 0.0007 Å |
c | 24.0895 ± 0.001 Å |
α | 90° |
β | 97.806 ± 0.004° |
γ | 90° |
Cell volume | 5052.2 ± 0.4 Å3 |
Cell temperature | 290.74 ± 0.1 K |
Ambient diffraction temperature | 290.74 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1132 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1021 |
Weighted residual factors for all reflections included in the refinement | 0.1244 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1553830.html
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Users of the data should acknowledge the original authors of the
structural data.