Crystallography Open Database

Information card for entry 4118710

Preview

Coordinates	4118710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H108.5 F24 N16.5 O9 P4
Calculated formula	C92 H108.5 F24 N16.5 O9 P4
Title of publication	Radically Enhanced Molecular Switches
Authors of publication	Albert C. Fahrenbach; Zhixue Zhu; Dennis Cao; Wei-Guang Liu; Hao Li; Sanjeev K. Dey; Subhadeep Basu; Ali Trabolsi; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	16275 - 16288
a	15.2916 ± 0.0013 Å
b	26.09 ± 0.002 Å
c	26.927 ± 0.003 Å
α	103.784 ± 0.006°
β	90.188 ± 0.006°
γ	99.938 ± 0.005°
Cell volume	10265.7 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1964
Residual factor for significantly intense reflections	0.1049
Weighted residual factors for significantly intense reflections	0.2713
Weighted residual factors for all reflections included in the refinement	0.3438
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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