Crystallography Open Database

Information card for entry 7125392

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Structure parameters

Formula	C54 H32 N8 O6
Calculated formula	C54 H32 N8 O6
Title of publication	Novel oxacalix[2]arene[2]triazines with thermally activated delayed fluorescence and aggregation-induced emission properties.
Authors of publication	Wang, Yin-Feng; Lu, Hai-Yan; Shen, Yi-Fan; Li, Meng; Chen, Chuan-Feng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2019
Journal volume	55
Journal issue	64
Pages of publication	9559 - 9562
a	19.6993 ± 0.0003 Å
b	13.7805 ± 0.0002 Å
c	17.3821 ± 0.0003 Å
α	90°
β	92.071 ± 0.002°
γ	90°
Cell volume	4715.57 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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