Crystallography Open Database

Information card for entry 7116906

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Structure parameters

Formula	C23 H17 F3 O S
Calculated formula	C23 H17 F3 O S
SMILES	S(C1=C(OC(c2ccccc2)C1)c1ccc(cc1)c1ccccc1)C(F)(F)F
Title of publication	Regioselective access to CF3S-substituted dihydrofurans from homopropargylic alcohols with trifluoromethanesulfenamide
Authors of publication	Dao-Qian Chen; Pin Gao; Ping-Xin Zhou; Xian-Rong Song; Yi-Feng Qiu; Xue-Yuan Liu; Yong-Min Liang
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	6637
a	9.4049 ± 0.0015 Å
b	10.3048 ± 0.0012 Å
c	10.563 ± 0.002 Å
α	79.807 ± 0.013°
β	74.337 ± 0.016°
γ	82.314 ± 0.011°
Cell volume	966.1 ± 0.3 Å³
Cell temperature	294.58 ± 0.1 K
Ambient diffraction temperature	294.58 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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