Crystallography Open Database

Information card for entry 4110727

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Structure parameters

Formula	C27 H44 N4 O7
Calculated formula	C27 H44 N4 O7
SMILES	CCCCCCNC(=O)Nc1ccc2c(c1)OCCOCCOCCOCCOCCO2.N#CC.N#CC
Title of publication	Columnar Self-Assembled Ureido Crown Ethers: An Example of Ion-Channel Organization in Lipid Bilayers
Authors of publication	Adinela Cazacu; Christine Tong; Arie van der Lee; Thomas M. Fyles; Mihail Barboiu
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	9541 - 9548
a	20.094 ± 0.008 Å
b	8.227 ± 0.003 Å
c	17.955 ± 0.007 Å
α	90°
β	107.859 ± 0.008°
γ	90°
Cell volume	2825.2 ± 1.9 Å³
Cell temperature	293 K
Ambient diffraction temperature	120 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	0.1644
Residual factor for significantly intense reflections	0.1066
Weighted residual factors for all reflections	0.1263
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.1121
Diffraction radiation wavelength	0.51091 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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