Crystallography Open Database

Information card for entry 7234705

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Structure parameters

Chemical name	6,6'-BPy3
Formula	C42 H28 N6
Calculated formula	C42 H28 N6
Title of publication	Synthesis, properties, and OLED characteristics of 2,2'-bipyridine-based electron-transport materials: the synergistic effect of molecular shape anisotropy and a weak hydrogen-bonding network on molecular orientation
Authors of publication	Yuichiro Watanabe; Hisahiro Sasabe; Daisuke Yokoyama; Teruo Beppu; Hiroshi Katagiri; Junji Kido
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	3699 - 3704
a	32.776 ± 0.012 Å
b	3.8953 ± 0.0014 Å
c	23.75 ± 0.009 Å
α	90°
β	95.426 ± 0.005°
γ	90°
Cell volume	3018.6 ± 1.9 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	3
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	0.0601
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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