Crystallography Open Database

Information card for entry 7057044

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Coordinates	7057044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 B10
Calculated formula	C16 H20 B10
Title of publication	Dual emission via remote control of molecular rotation of o-carborane in the excited state by the distant substituents in tolane-modified dyads
Authors of publication	Nishino, Kenta; Uemura, Kyoya; Tanaka, Kazuo; Chujo, Yoshiki
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	6
Pages of publication	4210
a	7.3558 ± 0.0005 Å
b	9.8281 ± 0.0007 Å
c	13.8221 ± 0.0012 Å
α	72.201 ± 0.005°
β	78.852 ± 0.006°
γ	74.947 ± 0.005°
Cell volume	911.69 ± 0.12 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1945
Weighted residual factors for all reflections included in the refinement	0.2427
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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