Crystallography Open Database

Information card for entry 7233774

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Coordinates	7233774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 Ir N5 O8
Calculated formula	C36 H38 Ir N5 O8
SMILES	[Ir]123(OC(=O)c4[n]1cccc4)([n]1ccc(cc1c1c(OC)nc(OC)cc21)C)[n]1ccc(cc1c1c(OC)nc(OC)cc31)C.O=C(OCC)C
Title of publication	Fluorine-free blue phosphorescent emitters for efficient phosphorescent organic light emitting diodes
Authors of publication	Jieun Lee; Hankook Oh; Jinho Kim; Ki-Min Park; Kyoung Soo Yook; Jun Yeob Lee; Youngjin Kang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	6040 - 6047
a	14.8259 ± 0.0015 Å
b	15.427 ± 0.0015 Å
c	16.4898 ± 0.0016 Å
α	87.206 ± 0.005°
β	77.253 ± 0.004°
γ	71.403 ± 0.004°
Cell volume	3485.5 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
218172 (current)	2019-09-11	cif/ Adding structures of 7233774 via cif-deposit CGI script.	7233774.cif