Crystallography Open Database

Information card for entry 7039293

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Coordinates	7039293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H117 K O13
Calculated formula	C76 H117 K O13
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	16.3022 ± 0.0003 Å
b	29.2158 ± 0.0005 Å
c	15.5007 ± 0.0003 Å
α	90°
β	94.8725 ± 0.0019°
γ	90°
Cell volume	7356 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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