Crystallography Open Database

Information card for entry 4109104

Preview

Coordinates	4109104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 N2 O4
Calculated formula	C16 H24 N2 O4
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	14.7447 ± 0.0006 Å
b	21.143 ± 0.0009 Å
c	15.954 ± 0.0007 Å
α	90°
β	101.983 ± 0.002°
γ	90°
Cell volume	4865.2 ± 0.4 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
Residual factor for all reflections	0.259
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.1765
Weighted residual factors for all reflections included in the refinement	0.2418
Goodness-of-fit parameter for all reflections included in the refinement	0.926
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109104.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109104.cif
57856	2012-05-22	cif/ Adding structures of 4109104 via cif-deposit CGI script.	4109104.cif