Crystallography Open Database

Information card for entry 7063573

Preview

Coordinates	7063573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H29 F N6
Calculated formula	C39 H28.9998 F1.0002 N6
Title of publication	Positional effects of fluorine substitution on room temperature phosphorescence in hexaphenylmelamine derivatives
Authors of publication	Guo, Qiang; Huang, Zixuan; Liu, Jiaqi; Li, Xiaoyu; Zheng, Yanqiong; Gao, Xiuying; Liu, Hui; Li, Jie
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	3
Pages of publication	674 - 678
a	14.5389 ± 0.0009 Å
b	14.5389 ± 0.0009 Å
c	25.5523 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	4677.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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