Crystallography Open Database

Information card for entry 4021858

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Structure parameters

Formula	C30 H20 N2
Calculated formula	C30 H20 N2
SMILES	n1(c2ccccc2c2ccccc12)c1cc(n2c3ccccc3c3ccccc23)ccc1
Title of publication	Potential Solution Processible Phosphorescent Iridium Complexes toward Applications in Doped Light-Emitting Diodes: Rapid Syntheses and Optical and Morphological Characterizations
Authors of publication	Yi-Heng Sun; Xu-Hui Zhu; Zhao Chen; Yong Zhang; Yong Cao
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	6281 - 6284
a	9.0744 ± 0.0008 Å
b	12.5038 ± 0.0012 Å
c	19.0417 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2160.6 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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