Crystallography Open Database

Information card for entry 4120907

4120906 << 4120907 >> 4120908

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Coordinates	4120907.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Thiophene-bridged Gyrotop
Formula	C46 H86 S Si2
Calculated formula	C46 H86 S Si2
Title of publication	Order-Disorder Transition of Dipolar Rotor in a Crystalline Molecular Gyrotop and Its Optical Change
Authors of publication	Wataru Setaka; Kentaro Yamaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	14560 - 14563
a	11.801 ± 0.006 Å
b	14.19 ± 0.01 Å
c	16.457 ± 0.009 Å
α	75.294 ± 0.009°
β	75.221 ± 0.006°
γ	66.078 ± 0.006°
Cell volume	2400 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1541
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1928
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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