Crystallography Open Database

Information card for entry 7233828

Preview

Coordinates	7233828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H29 N2 O2 P
Calculated formula	C39 H29 N2 O2 P
SMILES	c1(ccccc1)P(=O)(c1ccccc1)c1cccc(c1)c1nc2c(c3ccccc3c3ccccc23)n1c1ccccc1.O
Title of publication	New multifunctional phenanthroimidazole-phosphine oxide hybrids for high-performance red, green and blue electroluminescent devices
Authors of publication	Kai Wang; Shipan Wang; Jinbei Wei; Shanyong Chen; Dong Liu; Yu Liu; Yue Wang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	6817 - 6826
a	11.121 ± 0.002 Å
b	16.819 ± 0.003 Å
c	16.495 ± 0.003 Å
α	90°
β	94.15 ± 0.03°
γ	90°
Cell volume	3077.2 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1182
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
218258 (current)	2019-09-13	cif/ Adding structures of 7233828 via cif-deposit CGI script.	7233828.cif