Crystallography Open Database

Information card for entry 7233936

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Structure parameters

Formula	C52 H36 Cl2 N4
Calculated formula	C52 H36 Cl2 N4
SMILES	N1(c2c3ccccc3c3ccccc3c2N(c2ccccc12)c1ccc(cc1)c1ccc(cc1)c1n(c2ccccc2n1)c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Novel hole transport materials based on N,N'-disubstituted-dihydrophenazine derivatives for electroluminescent diodes
Authors of publication	Zhiwen Zheng; Qingchen Dong; Liao Gou; Jian-Hua Su; Jinhai Huang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	9858 - 9865
a	9.4937 ± 0.0015 Å
b	10.0154 ± 0.0016 Å
c	21.812 ± 0.004 Å
α	101.429 ± 0.004°
β	97.164 ± 0.005°
γ	104.122 ± 0.003°
Cell volume	1938.4 ± 0.6 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1312
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1931
Weighted residual factors for all reflections included in the refinement	0.2283
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7233936.cif
218427	2019-09-18	cif/ Adding structures of 7233936 via cif-deposit CGI script.	7233936.cif