Crystallography Open Database

Information card for entry 7124995

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Coordinates	7124995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H136 K4 O11
Calculated formula	C140 H136 K4 O11
Title of publication	The reductive aromatization of tridecacyclene.
Authors of publication	Sumy, Daniel P.; Finke, Aaron D.; Whalley, Adam C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	83
Pages of publication	12368 - 12371
a	13.3928 ± 0.0013 Å
b	15.4263 ± 0.0015 Å
c	15.9182 ± 0.0015 Å
α	72.759 ± 0.001°
β	71.007 ± 0.001°
γ	66.158 ± 0.001°
Cell volume	2792.2 ± 0.5 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 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 all reflections	0.0784
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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