Crystallography Open Database

Information card for entry 7215109

Preview

Coordinates	7215109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H64 Cl4 N2 O12 P4
Calculated formula	C54 H64 Cl4 N2 O12 P4
SMILES	n1(c2c(c3c1ccc(c3)P(=O)(OCC)OCC)cc(P(=O)(OCC)OCC)cc2)c1ccc(c2ccc(n3c4ccc(cc4c4cc(P(=O)(OCC)OCC)ccc34)P(=O)(OCC)OCC)cc2)cc1.C(Cl)Cl.C(Cl)Cl
Title of publication	Phosphonate substituted 4,4′-bis(N-carbazolyl)biphenyl with dominant electron injection/transport ability for tuning the single-layer device performance of self-host phosphorescent dendrimer
Authors of publication	Chen, Bo; Ding, Junqiao; Wang, Lixiang; Jing, Xiabin; Wang, Fosong
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	44
Pages of publication	23680
a	13.204 ± 0.002 Å
b	10.4398 ± 0.0015 Å
c	21.992 ± 0.003 Å
α	90°
β	99.421 ± 0.002°
γ	90°
Cell volume	2990.6 ± 0.7 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
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	0.0851
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1601
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
180482 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/51.	7215109.cif
111080	2014-04-20	cif/ Adding structures of 7215109 via cif-deposit CGI script.	7215109.cif