Crystallography Open Database

Information card for entry 7225354

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Structure parameters

Formula	C28 H18 N6
Calculated formula	C28 H18 N6
SMILES	c1cccc2c1[nH]c1c3ccccc3[nH]c21.N#CC(C#N)=C1C=C(C(=C(C#N)C#N)C=C1C)C
Title of publication	Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole
Authors of publication	Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko
Journal of publication	RSC Adv.
Year of publication	2016
a	7.0445 ± 0.0003 Å
b	8.9964 ± 0.0004 Å
c	9.7681 ± 0.0004 Å
α	74.396 ± 0.002°
β	71.111 ± 0.003°
γ	65.2771 ± 0.0017°
Cell volume	525.56 ± 0.04 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 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 significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.2731
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7225354.cif
183146	2016-05-28	cif/ Adding structures of 7225352, 7225353, 7225354 via cif-deposit CGI script.	7225354.cif