Crystallography Open Database

Information card for entry 1556703

Preview

Coordinates	1556703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.25 N4 O8 S2
Calculated formula	C65.25 N4 O8 S2
Title of publication	Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes
Authors of publication	Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	6
Pages of publication	1503 - 1509
a	22.2613 ± 0.001 Å
b	26.916 ± 0.0012 Å
c	28.2117 ± 0.001 Å
α	83.387 ± 0.003°
β	73.393 ± 0.003°
γ	69.33 ± 0.004°
Cell volume	15154.3 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2897
Residual factor for significantly intense reflections	0.2079
Weighted residual factors for significantly intense reflections	0.456
Weighted residual factors for all reflections included in the refinement	0.4898
Goodness-of-fit parameter for all reflections included in the refinement	1.216
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257322 (current)	2020-10-06	cif/ Updating files of 1556703, 1556704 Original log message: Adding full bibliography for 1556703--1556704.cif.	1556703.cif
248882	2020-03-05	cif/ Updating files of 1556703, 1556704 Original log message: Adding full bibliography for 1556703--1556704.cif.	1556703.cif
245497	2019-12-22	cif/ Adding structures of 1556703, 1556704 via cif-deposit CGI script.	1556703.cif