Crystallography Open Database

Information card for entry 1518175

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Structure parameters

Formula	C74 H64 F24 N8 O10 P4
Calculated formula	C74 H64 F24 N8 O10 P4
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1c2cc3OCCOCCOc4cccc5c4cccc5OCCOCCOc4cc(Oc5cncc(Oc(c3)c2)n5)cc(Oc2cncc1n2)c4.c1cc2cc[n+]1Cc1ccc(C[n+]3ccc(c4cc[n+](Cc5ccc(C[n+]6ccc2cc6)cc5)cc4)cc3)cc1
Title of publication	[2]Pseudorotaxanes and [2]catenanes constructed by oxacalixcrowns/viologen molecular recognition motifs.
Authors of publication	Liu, Hua; Li, Xiao-Yan; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	22
Pages of publication	5894 - 5897
a	13.6675 ± 0.0008 Å
b	27.6576 ± 0.0016 Å
c	28.2284 ± 0.0016 Å
α	62.073 ± 0.002°
β	88.936 ± 0.002°
γ	86.633 ± 0.002°
Cell volume	9411.2 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1219
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.2065
Weighted residual factors for all reflections included in the refinement	0.2292
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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