Crystallography Open Database

Information card for entry 7150397

Preview

Coordinates	7150397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 B2 F8 N2 O10
Calculated formula	C30 H50 B2 F8 N2 O10
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	10.4924 ± 0.0006 Å
b	16.5364 ± 0.001 Å
c	10.7738 ± 0.0006 Å
α	90°
β	96.584 ± 0.001°
γ	90°
Cell volume	1857 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2265
Weighted residual factors for all reflections included in the refinement	0.2357
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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