Crystallography Open Database

Information card for entry 7156750

Preview

Coordinates	7156750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 O2 S
Calculated formula	C18 H14 O2 S
Title of publication	A cascade oxidation/[4 + 1] annulation of sulfonium salts for synthesis of polyfunctional furans: DMSO as one carbon source.
Authors of publication	Shu, Wen-Ming; Wang, Shuai; Zhang, Xun-Fang; He, Jian-Xin; Wu, An-Xin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	17
Pages of publication	4311 - 4316
a	13.27 ± 0.003 Å
b	5.3525 ± 0.0011 Å
c	20.691 ± 0.004 Å
α	90°
β	103.956 ± 0.004°
γ	90°
Cell volume	1426.3 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225133 (current)	2019-11-08	cif/ Updating files of 7156750 Original log message: Adding full bibliography for 7156750.cif.	7156750.cif
214398	2019-03-28	cif/ Adding structures of 7156750 via cif-deposit CGI script.	7156750.cif