Crystallography Open Database

Information card for entry 1576495

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Coordinates	1576495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 O S
Calculated formula	C19 H20 O S
Title of publication	Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.
Authors of publication	Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	6
Pages of publication	3171 - 3177
a	9.1143 ± 0.0005 Å
b	7.2877 ± 0.0003 Å
c	12.1106 ± 0.0006 Å
α	90°
β	98.273 ± 0.002°
γ	90°
Cell volume	796.04 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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