Crystallography Open Database

Information card for entry 1549078

Preview

Coordinates	1549078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 N2 O2
Calculated formula	C36 H26 N2 O2
SMILES	n1ccc(cc1)c1ccc(C(=C(c2ccc(O)cc2)c2ccc(O)cc2)c2ccc(c3ccncc3)cc2)cc1
Title of publication	Cross-linked AIE supramolecular polymer gels with multiple stimuli-responsive behaviours constructed by hierarchical self-assembly
Authors of publication	Zhang, Chang-Wei; Ou, Bo; Jiang, Shu-Ting; Yin, Guang-Qiang; Chen, Li-Jun; Xu, Lin; Li, Xiaopeng; Yang, Hai-Bo
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	15
Pages of publication	2021
a	29.8205 ± 0.0005 Å
b	8.8627 ± 0.0002 Å
c	25.1375 ± 0.0004 Å
α	90°
β	110.05 ± 0.001°
γ	90°
Cell volume	6241 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0756
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230969 (current)	2019-11-17	cif/ Updating files of 1549078 Original log message: Adding full bibliography for 1549078.cif.	1549078.cif
207008	2018-03-19	cif/ Adding structures of 1549078 via cif-deposit CGI script.	1549078.cif