Crystallography Open Database

Information card for entry 7217634

Preview

Coordinates	7217634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 N2 O S
Calculated formula	C10 H6 N2 O S
Title of publication	Palladacycle-catalyzed Suzuki-Miyaura reaction of aryl/heteroaryl halides with MIDA boronates in EtOH/H2O or H2O
Authors of publication	Li, Yabo; Wang, Jingran; Wang, Zhiwei; Huang, Mengmeng; Yan, Beiqi; Cui, Xiuling; Wu, Yusheng; Wu, Yangjie
Journal of publication	RSC Advances
Year of publication	2014
a	11.3001 ± 0.0008 Å
b	3.931 ± 0.0002 Å
c	20.1304 ± 0.0016 Å
α	90°
β	95.043 ± 0.008°
γ	90°
Cell volume	890.74 ± 0.11 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1831
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180507 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/76.	7217634.cif
121779	2014-08-08	cif/ Adding structures of 7217634 via cif-deposit CGI script.	7217634.cif