Crystallography Open Database

Information card for entry 4120909

4120908 << 4120909 >> 4120910

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Coordinates	4120909.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	25.594 ± 0.014 Å
b	11.812 ± 0.006 Å
c	19.201 ± 0.01 Å
α	90°
β	121.519 ± 0.006°
γ	90°
Cell volume	4948 ± 5 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.3349
Residual factor for significantly intense reflections	0.1485
Weighted residual factors for significantly intense reflections	0.4461
Weighted residual factors for all reflections included in the refinement	0.5527
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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