Crystallography Open Database

Information card for entry 7039294

Preview

Coordinates	7039294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H45 K O5
Calculated formula	C31 H45 K O5
Title of publication	Structures of potassium calix[4]arene crown ether inclusion complexes and application in polymerization of rac-lactide.
Authors of publication	Li, Yingguo; Zhao, Hongwei; Mao, Xiaoyang; Pan, Xiaobo; Wu, Jincai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	23
Pages of publication	9636 - 9645
a	11.1093 ± 0.0003 Å
b	26.4085 ± 0.0009 Å
c	20.46 ± 0.0007 Å
α	90°
β	92.614 ± 0.003°
γ	90°
Cell volume	5996.3 ± 0.3 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 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	0.0708
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1
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
185516 (current)	2016-08-07	cif/ Updating files of 7039292, 7039293, 7039294, 7039295 Original log message: Adding full bibliography for 7039292--7039295.cif.	7039294.cif
182982	2016-05-17	cif/ Adding structures of 7039292, 7039293, 7039294, 7039295 via cif-deposit CGI script.	7039294.cif