Crystallography Open Database

Information card for entry 4118237

Preview

Coordinates	4118237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C190 H198 F2 N40 O28
Calculated formula	C190 H198 F2 N40 O28
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	19.205 ± 0.0004 Å
b	23.3121 ± 0.0005 Å
c	20.2621 ± 0.0004 Å
α	90°
β	90.498 ± 0.002°
γ	90°
Cell volume	9071.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1108
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.2305
Weighted residual factors for all reflections included in the refinement	0.2468
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 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.	4118237.cif
75760	2013-03-13	cif/ Adding structures of 4118237 via cif-deposit CGI script.	4118237.cif