Crystallography Open Database

Information card for entry 1556263

Preview

Coordinates	1556263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 N2 O2 S2
Calculated formula	C20 H12 N2 O2 S2
SMILES	c1(c2c(O)cccc2)nc2c(s1)cc1c(c2)sc(c2c(O)cccc2)n1
Title of publication	A 2D covalent organic framework involving strong intramolecular hydrogen bonds for advanced supercapacitors
Authors of publication	Li, Tao; Yan, Xiaodong; Liu, Yong; Zhang, Wen-Da; Fu, Qiu-Ting; Zhu, Haiyan; Li, Zaijun; Gu, Zhi-Guo
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	1
Pages of publication	47 - 52
a	11.2568 ± 0.0012 Å
b	5.8241 ± 0.0007 Å
c	12.8702 ± 0.0017 Å
α	90°
β	112.433 ± 0.004°
γ	90°
Cell volume	779.93 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
257935 (current)	2020-10-06	cif/ Updating files of 1556263 Original log message: Adding full bibliography for 1556263.cif.	1556263.cif
247836	2020-02-04	cif/ Updating files of 1556263 Original log message: Adding full bibliography for 1556263.cif.	1556263.cif
243771	2019-11-27	cif/ Adding structures of 1556263 via cif-deposit CGI script.	1556263.cif