Crystallography Open Database

Information card for entry 7064429

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Coordinates	7064429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H24 N2 O
Calculated formula	C37 H24 N2 O
Title of publication	D–π–A type AIE molecules exhibiting persistent room temperature phosphorescence and delayed fluorescence through structural regulation
Authors of publication	Zhang, Zhihua; Qu, Hongmei; Li, Xia; Li, Yameng; Dai, Ruihan; Zhang, Xuesong; Pan, Wenjing
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	20
Pages of publication	8823 - 8834
a	21.1022 ± 0.0007 Å
b	7.4454 ± 0.0003 Å
c	17.2701 ± 0.0006 Å
α	90°
β	97.501 ± 0.002°
γ	90°
Cell volume	2690.16 ± 0.17 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
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	0.0625
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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