Crystallography Open Database

Information card for entry 7129552

Preview

Coordinates	7129552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H18 N2
Calculated formula	C31 H18 N2
SMILES	n1c2c3C4(c5c(c6c4cccc6)cccc5)c4c(c3ccc2nc2c1cccc2)cccc4
Title of publication	An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine
Authors of publication	Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo
Journal of publication	Chemical Communications
Year of publication	2022
a	8.2871 ± 0.0004 Å
b	9.5533 ± 0.0005 Å
c	14.97 ± 0.0008 Å
α	73.34 ± 0.005°
β	87.044 ± 0.004°
γ	72.22 ± 0.005°
Cell volume	1080.34 ± 0.11 Å³
Cell temperature	292.8 ± 0.8 K
Ambient diffraction temperature	292.8 ± 0.8 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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