Crystallography Open Database

Information card for entry 1513768

Preview

Coordinates	1513768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H49 Cl3 N9 P3
Calculated formula	C73 H49 Cl3 N9 P3
SMILES	ClC(Cl)Cl.P1(n2c3ccccc3c3c2cccc3)(=NP(=NP(=N1)(n1c2c(c3c1cccc3)cccc2)n1c2ccccc2c2c1cccc2)(n1c2ccccc2c2c1cccc2)n1c2c(c3c1cccc3)cccc2)n1c2c(cccc2)c2c1cccc2
Title of publication	A six-carbazole-decorated cyclophosphazene as a host with high triplet energy to realize efficient delayed-fluorescence OLEDs
Authors of publication	Nishimoto, Takuro; Yasuda, Takuma; Lee, Sae Youn; Kondo, Ryosuke; Adachi, Chihaya
Journal of publication	Materials Horizons
Year of publication	2014
Journal volume	1
Journal issue	2
Pages of publication	264
a	11.7629 ± 0.0002 Å
b	25.0523 ± 0.0005 Å
c	21.7142 ± 0.0004 Å
α	90°
β	92.779 ± 0.007°
γ	90°
Cell volume	6391.4 ± 0.2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513768.cif
105772	2014-03-12	cif/ Adding structures of 1513768 via cif-deposit CGI script.	1513768.cif