Crystallography Open Database

Information card for entry 7100226

Preview

Coordinates	7100226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H53 N5 O4
Calculated formula	C34 H53 N5 O4
SMILES	[nH]1cccc1C(=O)Nc1ccccc1NC(=O)c1[nH]ccc1.[O-]C(=O)C.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Carboxylate complexation by 1,1'-(1,2-phenylene)bis(3-phenylurea) in solution and the solid state
Authors of publication	Mark E. Light; Simon J. Brooks; Philip Gale
Journal of publication	Chemical Communications
Year of publication	2005
a	9.577 ± 0.003 Å
b	19.02 ± 0.008 Å
c	18.309 ± 0.005 Å
α	90°
β	93.73 ± 0.03°
γ	90°
Cell volume	3328 ± 1.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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