Crystallography Open Database

Information card for entry 7150396

Preview

Coordinates	7150396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H60 B2 F8 N4 O16
Calculated formula	C44 H60 B2 F8 N4 O16
Title of publication	A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.
Authors of publication	Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	4
Pages of publication	667 - 680
a	9.3357 ± 0.0001 Å
b	22.4319 ± 0.0003 Å
c	25.0932 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5254.95 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1786
Residual factor for significantly intense reflections	0.1437
Weighted residual factors for significantly intense reflections	0.2894
Weighted residual factors for all reflections included in the refinement	0.3084
Goodness-of-fit parameter for all reflections included in the refinement	1.293
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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