Crystallography Open Database

Information card for entry 7249253

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Coordinates	7249253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 S
Calculated formula	C17 H14 S
Title of publication	Acid-Catalyzed Regioselective Remote Heteroarylation of Alkenes via C=C Bond Migration
Authors of publication	Qin, Shengxiang; Zhang, Yaqi; Jiang, Long; Tse, Man-Kin; Chan, Albert S. C.; Qiu, Liqin
Journal of publication	Green Chemistry
Year of publication	2024
a	8.2038 ± 0.0009 Å
b	8.2643 ± 0.0009 Å
c	10.5638 ± 0.001 Å
α	105.06 ± 0.009°
β	106.146 ± 0.009°
γ	103.841 ± 0.01°
Cell volume	625.76 ± 0.13 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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