Crystallography Open Database

Information card for entry 7100227

Preview

Coordinates	7100227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H58 N5 O4
Calculated formula	C43 H58 N5 O4
SMILES	N(c1ccccc1)C(=O)Nc1ccccc1NC(=O)Nc1ccccc1.[O-]C(=O)c1ccccc1.[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	8.478 ± 0.002 Å
b	38.654 ± 0.01 Å
c	24.402 ± 0.007 Å
α	90°
β	93.68 ± 0.03°
γ	90°
Cell volume	7980 ± 4 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/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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