Crystallography Open Database

Information card for entry 7223910

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Structure parameters

Formula	C39 H25 N O
Calculated formula	C39 H25 N O
SMILES	N(c1c2ccc3cccc4ccc(cc1)c2c34)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc(OC)cc1
Title of publication	A new series of pyrenyl-based triarylamines: syntheses, structures, optical properties, electrochemistry and electroluminescence
Authors of publication	zhang, ran; Zhao, Yun; Li, Guo-Ling; Yang, Daisheng; Ni, Zhong-Hai
Journal of publication	RSC Adv.
Year of publication	2016
a	10.92 ± 0.002 Å
b	11.212 ± 0.002 Å
c	12.802 ± 0.003 Å
α	115.66 ± 0.03°
β	106.77 ± 0.03°
γ	90.89 ± 0.03°
Cell volume	1334.7 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0715
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	7223910.cif
174529	2016-01-16	cif/ Adding structures of 7223908, 7223909, 7223910 via cif-deposit CGI script.	7223910.cif