Crystallography Open Database

Information card for entry 4118238

Preview

Coordinates	4118238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C170 H186 F2 N32 O24
Calculated formula	C170 H186 F2 N32 O24
Title of publication	Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes
Authors of publication	Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	11415 - 11429
a	26.5692 ± 0.0008 Å
b	18.3016 ± 0.0006 Å
c	20.3207 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9881.1 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CUKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178953 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/82.	4118238.cif
75761	2013-03-13	cif/ Adding structures of 4118238 via cif-deposit CGI script.	4118238.cif