Crystallography Open Database

Information card for entry 1572156

Preview

Coordinates	1572156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 O2 S
Calculated formula	C18 H18 O2 S
Title of publication	Nickel-catalyzed regiodivergent sulfonylarylation of 1,3-enynes to access allenes and dienes.
Authors of publication	Chi, Zhuomin; Zhou, Yongchao; Liu, Bingbing; Xu, Xiaojing; Liu, Xueyuan; Liang, Yongmin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	33
Pages of publication	13271 - 13278
a	9.12295 ± 0.00012 Å
b	9.29509 ± 0.00014 Å
c	10.32066 ± 0.00017 Å
α	66.4462 ± 0.0015°
β	78.678 ± 0.0013°
γ	73.4692 ± 0.0012°
Cell volume	765.7 ± 0.02 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294476 (current)	2024-09-06	cif/ Updating files of 1572156 Original log message: Adding full bibliography for 1572156.cif.	1572156.cif
293507	2024-07-24	cif/ Adding structures of 1572156 via cif-deposit CGI script.	1572156.cif