Crystallography Open Database

Information card for entry 7225353

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Structure parameters

Formula	C24 H18 N6
Calculated formula	C24 H18 N6
SMILES	c12c3ccccc3[nH]c2c2ccccc2[nH]1.CC1C(C=C(C)C(C=1)=NC#N)=NC#N
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	6.899 ± 0.006 Å
b	8.655 ± 0.006 Å
c	9.67 ± 0.005 Å
α	70.09 ± 0.05°
β	69.22 ± 0.05°
γ	69.33 ± 0.07°
Cell volume	489.6 ± 0.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.075
Weighted residual factors for all reflections included in the refinement	0.2523
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
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.	7225353.cif
183146	2016-05-28	cif/ Adding structures of 7225352, 7225353, 7225354 via cif-deposit CGI script.	7225353.cif