Crystallography Open Database

Information card for entry 4117963

Preview

Coordinates	4117963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82.5 H107.5 N10 O21.5
Calculated formula	C82.5 H99.5 N10 O21.5
Title of publication	Single-Molecular Artificial Transmembrane Water Channels
Authors of publication	Xiao-Bo Hu; Zhenxia Chen; Gangfeng Tang; Jun-Li Hou; Zhan-Ting Li
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8384 - 8387
a	36.5619 ± 0.001 Å
b	17.2565 ± 0.0006 Å
c	32.5545 ± 0.0014 Å
α	90°
β	120.74 ± 0.001°
γ	90°
Cell volume	17653.7 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1678
Residual factor for significantly intense reflections	0.1368
Weighted residual factors for significantly intense reflections	0.3794
Weighted residual factors for all reflections included in the refinement	0.4156
Goodness-of-fit parameter for all reflections included in the refinement	1.804
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117963.cif
75106	2013-03-07	cif/ Adding structures of 4117963 via cif-deposit CGI script.	4117963.cif