Crystallography Open Database

Information card for entry 7237552

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Coordinates	7237552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H20 F10 O4
Calculated formula	C46 H20 F10 O4
Title of publication	Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions
Authors of publication	Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	5
Pages of publication	1198
a	7.507 ± 0.002 Å
b	7.869 ± 0.002 Å
c	16.68 ± 0.005 Å
α	98.558 ± 0.006°
β	99.414 ± 0.006°
γ	106.779 ± 0.006°
Cell volume	910.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0865
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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