Crystallography Open Database

Information card for entry 7229632

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Coordinates	7229632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 N4
Calculated formula	C25 H24 N4
SMILES	N#CC(=C(C#N)c1ccc2n(c3c(c2c1)cccc3)CCCCCCCC)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	7.917 ± 0.003 Å
b	8.777 ± 0.004 Å
c	16.892 ± 0.007 Å
α	92.79 ± 0.02°
β	102.2 ± 0.02°
γ	107.3 ± 0.02°
Cell volume	1087.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2608
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2271
Weighted residual factors for all reflections included in the refinement	0.2955
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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