Crystallography Open Database

Information card for entry 7156727

Preview

Coordinates	7156727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 I N O2 S Se
Calculated formula	C21 H18 I N O2 S Se
Title of publication	Organo-selenium mediated regio- and stereoselective iodoselenylation of alkynes in an aqueous medium: simple access to (E)-β-iodoalkenyl selenides.
Authors of publication	Zeng, Xianghua; Chen, Lu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	13
Pages of publication	3338 - 3342
a	7.8813 ± 0.0004 Å
b	9.4987 ± 0.0005 Å
c	13.5549 ± 0.0007 Å
α	95.706 ± 0.004°
β	92.226 ± 0.004°
γ	91.5 ± 0.004°
Cell volume	1008.5 ± 0.09 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
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
225201 (current)	2019-11-08	cif/ Updating files of 7156727 Original log message: Adding full bibliography for 7156727.cif.	7156727.cif
214082	2019-03-12	cif/ Adding structures of 7156727 via cif-deposit CGI script.	7156727.cif