Crystallography Open Database

Information card for entry 7156651

Preview

Coordinates	7156651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 O3 S
Calculated formula	C11 H10 O3 S
Title of publication	I<sub>2</sub>/DMSO-mediated multicomponent reaction of o-hydroxyaryl methyl ketones, rongalite, and DMSO: access to C3-sulfenylated chromones.
Authors of publication	Wang, Miao; Tang, Bo-Cheng; Ma, Jin-Tian; Wang, Zi-Xuan; Xiang, Jia-Chen; Wu, Yan-Dong; Wang, Jun-Gang; Wu, An-Xin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	6
Pages of publication	1535 - 1541
a	23.014 ± 0.007 Å
b	6.551 ± 0.002 Å
c	6.696 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1009.5 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
225150 (current)	2019-11-08	cif/ Updating files of 7156651 Original log message: Adding full bibliography for 7156651.cif.	7156651.cif
213179	2019-01-17	cif/ Adding structures of 7156651 via cif-deposit CGI script.	7156651.cif