Crystallography Open Database

Information card for entry 1544366

Preview

Coordinates	1544366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 I
Calculated formula	C26 H19 I
SMILES	Ic1c(c2c(C=C(c3ccccc3)c3ccccc3)cccc2)cccc1
Title of publication	Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange.
Authors of publication	Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	21
Pages of publication	5756 - 5759
a	16.0575 ± 0.0012 Å
b	11.4137 ± 0.0009 Å
c	21.6746 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	3972.4 ± 0.5 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.203
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
187968 (current)	2016-11-06	cif/ Updating files of 1544365, 1544366 Original log message: Adding full bibliography for 1544365--1544366.cif.	1544366.cif
187603	2016-10-27	cif/ Adding structures of 1544366 via cif-deposit CGI script.	1544366.cif