Crystallography Open Database

Information card for entry 7233934

Preview

Coordinates	7233934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H31 N3
Calculated formula	C44 H31 N3
SMILES	N1(c2c3ccccc3c3ccccc3c2N(c2c1cccc2)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
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	9.5653 ± 0.0013 Å
b	11.8383 ± 0.0016 Å
c	14.678 ± 0.002 Å
α	102.839 ± 0.003°
β	96.717 ± 0.003°
γ	102.722 ± 0.003°
Cell volume	1556.5 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.1262
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
218425 (current)	2019-09-18	cif/ Adding structures of 7233934 via cif-deposit CGI script.	7233934.cif