Crystallography Open Database

Information card for entry 1574276

Preview

Coordinates	1574276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 B2 N3 O2
Calculated formula	C30 H23 B2 N3 O2
SMILES	O1C2=[N]3[N](=Cc4n(ccc4)[B]3(Oc3c2cccc3)c2ccccc2)[B]1(c1ccccc1)c1ccccc1
Title of publication	A novel boron-stereogenic fluorophore with dual-state circular polarization luminescence via a self-dispersing strategy
Authors of publication	Yu, Changjiang; Cheng, Chao; Liu, Zhangzhan; Ni, Zhigang; Zhao, Zujin; Lu, Hua; Hao, Erhong; Jiao, Lijuan
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	18
Pages of publication	7971 - 7980
a	9.9773 ± 0.0004 Å
b	10.9806 ± 0.0005 Å
c	13.4862 ± 0.0005 Å
α	74.857 ± 0.002°
β	79.474 ± 0.002°
γ	63.421 ± 0.002°
Cell volume	1271.77 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300651 (current)	2025-07-06	cif/ Updating files of 1574271, 1574272, 1574273, 1574274, 1574275, 1574276, 1574277 Original log message: Adding full bibliography for 1574271--1574277.cif.	1574276.cif
298628	2025-03-28	cif/ Adding structures of 1574271, 1574272, 1574273, 1574274, 1574275, 1574276, 1574277 via cif-deposit CGI script.	1574276.cif