Crystallography Open Database

Information card for entry 4109103

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Structure parameters

Formula	C18 H28 N2 O4
Calculated formula	C18 H28 N2 O4
SMILES	CCCCNC(=O)c1c(cc(c(c1)C(=O)NCCCC)OC)OC
Title of publication	Conformational Control of Transmembrane Cl-Transport
Authors of publication	Paul V. Santacroce; Jeffery T. Davis; Mark E. Light; Philip A. Gale; José Carlos Iglesias-Sánchez; Pilar Prados; Roberto Quesada
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1886 - 1887
a	13.611 ± 0.0011 Å
b	8.4257 ± 0.0004 Å
c	15.6598 ± 0.0012 Å
α	90°
β	98.437 ± 0.003°
γ	90°
Cell volume	1776.5 ± 0.2 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
Residual factor for all reflections	0.1433
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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