Crystallography Open Database

Information card for entry 4508666

Preview

Coordinates	4508666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H66 N30 O19
Calculated formula	C54 H66 N30 O19
Title of publication	Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril
Authors of publication	Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	6
Pages of publication	1420
a	14.56 ± 0.0013 Å
b	15.007 ± 0.0012 Å
c	15.239 ± 0.003 Å
α	83.05 ± 0.003°
β	81.65 ± 0.003°
γ	81.72 ± 0.003°
Cell volume	3243 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.095
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179622 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/86.	4508666.cif
96840	2014-01-29	cif/ Adding structures of 4508666, 4508667, 4508668, 4508669 via cif-deposit CGI script.	4508666.cif