Crystallography Open Database

Information card for entry 7039292

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Coordinates	7039292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H150 K4 N4 O15
Calculated formula	C112 H150 K4 N4 O15
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	13.4859 ± 0.001 Å
b	20.6897 ± 0.0015 Å
c	20.2255 ± 0.0015 Å
α	90°
β	109.144 ± 0.001°
γ	90°
Cell volume	5331.2 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0912
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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