Crystallography Open Database

Information card for entry 7121856

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Structure parameters

Formula	C38 H30 N2 O6 S2
Calculated formula	C38 H30 N2 O6 S2
Title of publication	One-step synthesis of cyclic compounds towards easy room-temperature phosphorescence and deep blue thermally activated delayed fluorescence.
Authors of publication	Hu, Yingyuan; Wang, Zhenfeng; Jiang, Xiaofang; Cai, Xinyi; Su, Shi-Jian; Huang, Fei; Cao, Yong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	56
Pages of publication	7850 - 7853
a	13.5501 ± 0.0006 Å
b	4.9755 ± 0.0002 Å
c	23.1851 ± 0.001 Å
α	90°
β	100.243 ± 0.004°
γ	90°
Cell volume	1538.19 ± 0.12 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.0435
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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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