Crystallography Open Database

Information card for entry 1576499

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Coordinates	1576499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 O S
Calculated formula	C22 H26 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	17.922 ± 0.0005 Å
b	17.922 ± 0.0005 Å
c	11.4729 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	3191.37 ± 0.19 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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