Crystallography Open Database

Information card for entry 4117252

Preview

Coordinates	4117252.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	polymer
Formula	C36 H24 O4
Calculated formula	C36 H24 O4
SMILES	C1COCC#Cc2cc(ccc2)C#CCOCCC#CCCOCC#Cc2cc(ccc2)C#CCOCCC#C1
Title of publication	Preparation and Structure of a Tubular Addition Polymer: A True Synthetic Nanotube
Authors of publication	Te-Jung Hsu; Frank W. Fowler; Joseph W. Lauher
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	142 - 145
a	4.889 ± 0.005 Å
b	9.035 ± 0.009 Å
c	15.995 ± 0.01 Å
α	84.99 ± 0.07°
β	88.02 ± 0.08°
γ	80.37 ± 0.07°
Cell volume	693.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2438
Residual factor for significantly intense reflections	0.1008
Weighted residual factors for significantly intense reflections	0.2184
Weighted residual factors for all reflections included in the refinement	0.2726
Goodness-of-fit parameter for all reflections included in the refinement	0.869
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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