Crystallography Open Database

Information card for entry 1568963

Preview

Coordinates	1568963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 Cl0.12 N2 O0.12 S2
Calculated formula	C29 H26 N2 S2
Title of publication	Economical synthesis of functional aromatic polythioamides from KOH-assisted multicomponent polymerizations of sulfur, aromatic diamines and dialdehydes
Authors of publication	Hu, Yang; Zhang, Lihui; Wang, Zhuang; Hu, Rongrong; Tang, Ben Zhong
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	21
Pages of publication	2617 - 2623
a	33.855 ± 0.002 Å
b	8.1449 ± 0.0005 Å
c	17.6248 ± 0.001 Å
α	90°
β	96.65 ± 0.005°
γ	90°
Cell volume	4827.3 ± 0.5 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2085
Residual factor for significantly intense reflections	0.1658
Weighted residual factors for significantly intense reflections	0.3803
Weighted residual factors for all reflections included in the refinement	0.4115
Goodness-of-fit parameter for all reflections included in the refinement	1.376
Diffraction radiation probe	x-ray
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
284981 (current)	2023-07-05	cif/ Updating files of 1568963 Original log message: Adding full bibliography for 1568963.cif.	1568963.cif
282843	2023-04-26	cif/ Adding structures of 1568963 via cif-deposit CGI script.	1568963.cif