Crystallography Open Database

Information card for entry 7112548

Preview

Coordinates	7112548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H58 Cl3 N3 O3
Calculated formula	C39 H58 Cl3 N3 O3
Title of publication	Synthetic chloride transporters with the binding mode observed in a ClC chloride channel.
Authors of publication	Choi, Ye Rin; Chae, Min Kyung; Kim, Dongwook; Lah, Myoung Soo; Jeong, Kyu-Sung
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2012
Journal volume	48
Journal issue	83
Pages of publication	10346 - 10348
a	13.59 ± 0.003 Å
b	19.104 ± 0.004 Å
c	17.224 ± 0.003 Å
α	90°
β	110.86 ± 0.03°
γ	90°
Cell volume	4178.6 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.1247
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
180239 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/25.	7112548.cif
110814	2014-04-20	cif/ Adding structures of 7112548 via cif-deposit CGI script.	7112548.cif