Crystallography Open Database

Information card for entry 4129553

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Coordinates	4129553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H9 Br2 I
Calculated formula	C9 H9 Br3.51
Title of publication	Collective In-Plane Molecular Rotator Based on Dibromoiodomesitylene π-Stacks.
Authors of publication	Ichikawa, Jun-ichi; Hoshino, Norihisa; Takeda, Takashi; Akutagawa, Tomoyuki
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	40
Pages of publication	13155 - 13160
a	7.7672 Å
b	9.2673 Å
c	9.2845 Å
α	119.915°
β	95.254°
γ	107.197°
Cell volume	529.812 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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 significantly intense reflections	0.0442
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.255
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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