Crystallography Open Database

Information card for entry 7240708

Preview

Coordinates	7240708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 I O3.5 S
Calculated formula	C27 H26 I O3.5 S
Title of publication	Electrocatalytic three-component annulation-halosulfonylation of 1,6-enynes toward 1-indanones using sodium halides as both halogen sources and electrolytes
Authors of publication	Zhang, Tian-Shu; Hao, Wen-Juan; Wang, Rong; Wang, Shi-Chao; Tu, Shu-Jiang; Jiang, Bo
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	13
Pages of publication	4259 - 4269
a	9.783 ± 0.0009 Å
b	12.3051 ± 0.0011 Å
c	12.3219 ± 0.0012 Å
α	62.429 ± 0.001°
β	66.999 ± 0.002°
γ	79.648 ± 0.003°
Cell volume	1210.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.09
Weighted residual factors for significantly intense reflections	0.2178
Weighted residual factors for all reflections included in the refinement	0.2273
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
257605 (current)	2020-10-06	cif/ Updating files of 7240708 Original log message: Adding full bibliography for 7240708.cif.	7240708.cif
255020	2020-08-06	cif/ Updating files of 7240708 Original log message: Adding full bibliography for 7240708.cif.	7240708.cif
253141	2020-06-13	cif/ Adding structures of 7240708 via cif-deposit CGI script.	7240708.cif