Crystallography Open Database

Information card for entry 7229634

Preview

Coordinates	7229634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 N4
Calculated formula	C29 H32 N4
SMILES	N#CC(=C(C#N)c1ccc2n(c3c(c2c1)cccc3)CCCCCCCCCCCC)C#N
Title of publication	Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.
Authors of publication	Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	2
Pages of publication	1142 - 1149
a	7.7023 ± 0.0013 Å
b	8.911 ± 0.0015 Å
c	20.022 ± 0.004 Å
α	77.669 ± 0.009°
β	84.775 ± 0.008°
γ	73.953 ± 0.007°
Cell volume	1289.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1773
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1812
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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