Crystallography Open Database

Information card for entry 7024529

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Structure parameters

Formula	C27 H18 N6
Calculated formula	C27 H18 N6
SMILES	n1(c2c(nc1)cccc2)c1cc(n2c3c(nc2)cccc3)cc(n2c3c(nc2)cccc3)c1
Title of publication	Linear and star-shaped benzimidazolyl derivatives: syntheses, photophysical properties and use as highly efficient electron transport materials in OLEDs.
Authors of publication	White, Wade; Hudson, Zachary M.; Feng, Xiaodong; Han, Sijin; Lu, Zheng-Hong; Wang, Suning
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	3
Pages of publication	892 - 899
a	16.7951 ± 0.0009 Å
b	16.5308 ± 0.0012 Å
c	7.408 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2056.7 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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