Crystallography Open Database

Information card for entry 7063574

Preview

Coordinates	7063574.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	14.3814 ± 0.0004 Å
b	14.3814 ± 0.0004 Å
c	25.5525 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	4576.8 ± 0.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0673
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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