Crystallography Open Database

Information card for entry 7013391

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Coordinates	7013391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H116 Cl8 O10
Calculated formula	C94 H116 Cl8 O10
Title of publication	Calix[4]semitube diquinone: a potassium selective redox-active ionophore
Authors of publication	Webber, Philip R. A.; Cowley, Andrew; Beer, Paul D.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	20
Pages of publication	3922
a	14.2466 ± 0.0003 Å
b	17.7148 ± 0.0004 Å
c	19.4627 ± 0.0005 Å
α	104.454 ± 0.001°
β	93.398 ± 0.001°
γ	105.952 ± 0.001°
Cell volume	4529.95 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.0453
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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