Crystallography Open Database

Information card for entry 1552116

Preview

Coordinates	1552116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 N4 O8
Calculated formula	C44 H38 N4 O8
SMILES	C(=O)(NCC(=O)O)OCC1c2c(cccc2)c2c1cccc2.c1(ccncc1)c1ccncc1.C(=O)(NCC(=O)O)OCC1c2ccccc2c2c1cccc2
Title of publication	Hydrogen bonded co-assembly of aromatic amino acids and bipyridines that serves as a sacrificial template in superstructure formation.
Authors of publication	Wang, Zhuoer; Cheng, Qiuhong; Xing, Pengyao; Cao, Zhaozhen; Hao, Aiyou
Journal of publication	Soft matter
Year of publication	2019
Journal volume	15
Journal issue	32
Pages of publication	6596 - 6603
a	46.5364 ± 0.0017 Å
b	4.8799 ± 0.0002 Å
c	16.5283 ± 0.0006 Å
α	90°
β	100.576 ± 0.004°
γ	90°
Cell volume	3689.7 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1897
Weighted residual factors for all reflections included in the refinement	0.2012
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation probe	x-ray
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
225356 (current)	2019-11-08	cif/ Updating files of 1552116 Original log message: Adding full bibliography for 1552116.cif.	1552116.cif
217184	2019-07-20	cif/ Adding structures of 1552116 via cif-deposit CGI script.	1552116.cif