Crystallography Open Database

Information card for entry 7106778

Preview

Coordinates	7106778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H132 Cu3 F18 N12 O6 P3
Calculated formula	C168 H132 Cu3 F18.19 N12 O6 P2.99
Title of publication	Synthesis of a D3 Symmetric Trefoil Knotted Cyclophane
Authors of publication	Karla I. Arias; Eli Zysman-Colman; Jon C. Loren; Anthony Linden; Jay S. Siegel
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	9588
a	33.7312 ± 0.0006 Å
b	33.7312 ± 0.0006 Å
c	33.7312 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	38379.2 ± 1.2 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	7
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.3009
Residual factor for significantly intense reflections	0.208
Weighted residual factors for significantly intense reflections	0.4008
Weighted residual factors for all reflections included in the refinement	0.4291
Goodness-of-fit parameter for all reflections included in the refinement	2.2
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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