Crystallography Open Database

Information card for entry 1543988

Preview

Coordinates	1543988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H31 Cl2 N O3 S
Calculated formula	C36 H31 Cl2 N O3 S
SMILES	ClCCl.S(=O)(=O)(NC(=O)Cc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccc(cc1)C
Title of publication	Multicomponent polymerization: development of a one-pot synthetic route to functional polymers using diyne, N-sulfonyl azide and water/ethanol as reactants
Authors of publication	Deng, Haiqin; Han, Ting; Zhao, Engui; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong
Journal of publication	Polym. Chem.
Year of publication	2016
Journal volume	7
Journal issue	36
Pages of publication	5646
a	128.559 ± 0.003 Å
b	18.5908 ± 0.0004 Å
c	5.29842 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	12663.3 ± 0.5 Å³
Cell temperature	99.9 ± 0.6 K
Ambient diffraction temperature	99.9 ± 0.6 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
187204 (current)	2016-10-08	cif/ Updating files of 1543988, 1543989 Original log message: Adding full bibliography for 1543988--1543989.cif.	1543988.cif
186059	2016-08-27	cif/ Adding structures of 1543988, 1543989 via cif-deposit CGI script.	1543988.cif