Crystallography Open Database

Information card for entry 7237502

Preview

Coordinates	7237502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H36 Cl2 N4 O0
Calculated formula	C55 H36 Cl2 N4
Title of publication	A twisted phenanthroimidazole based molecule with high triplet energy as a host material for high efficiency phosphorescent OLEDs
Authors of publication	Li, Chenglong; Li, Zhiqiang; Liang, Jixiong; Luo, Hao; Liu, Yu; Wei, Jinbei; Wang, Yue
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	47
Pages of publication	12888
a	16.3865 ± 0.0013 Å
b	20.1765 ± 0.0016 Å
c	12.7148 ± 0.0011 Å
α	90°
β	98.129 ± 0.002°
γ	90°
Cell volume	4161.6 ± 0.6 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	0.1315
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.21
Weighted residual factors for all reflections included in the refinement	0.2477
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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