Crystallography Open Database

Information card for entry 7156396

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Coordinates	7156396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N O4 S
Calculated formula	C17 H19 N O4 S
Title of publication	Thio-Michael addition of thioamides and allenes for the selective construction of polysubstituted 2-arylthiophenes via TBAI/H<sub>2</sub>O<sub>2</sub> promoted tandem oxidative annulation and 1,2-sulfur migration.
Authors of publication	Han, Teng; Luo, Xiaoyan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	37
Pages of publication	8253 - 8257
a	15.538 ± 0.005 Å
b	6.0233 ± 0.0019 Å
c	37.422 ± 0.012 Å
α	90°
β	96.818 ± 0.012°
γ	90°
Cell volume	3477.6 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 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	0.1189
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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