Crystallography Open Database

Information card for entry 7064431

Preview

Coordinates	7064431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H22 N2 O
Calculated formula	C35 H22 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	12.414 ± 0.002 Å
b	10.7894 ± 0.0018 Å
c	37.137 ± 0.007 Å
α	90°
β	99.503 ± 0.006°
γ	90°
Cell volume	4905.9 ± 1.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1916
Residual factor for significantly intense reflections	0.0931
Weighted residual factors for significantly intense reflections	0.2345
Weighted residual factors for all reflections included in the refinement	0.2978
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306234 (current)	2026-06-05	cif/ Adding structures of 7064429, 7064430, 7064431 via cif-deposit CGI script.	7064431.cif