Crystallography Open Database

Information card for entry 7160423

Preview

Coordinates	7160423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 F N3 S
Calculated formula	C28 H20 F N3 S
Title of publication	Base-mediated synthesis of ring-fluorinated imidazo[1,2-<i>a</i>]pyridines <i>via</i> sequential C-F substitutions.
Authors of publication	Li, Qiuyun; Du, Tianyu; Feng, Xue; Zhang, Fan; Wang, Wei; Han, Zhongfei; Zhu, Yannan; Yan, Kelu; Hao, Wen-Juan; Jiang, Bo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	15
Pages of publication	3553 - 3557
a	12.1973 ± 0.0015 Å
b	8.1592 ± 0.001 Å
c	22.874 ± 0.003 Å
α	90°
β	92.147 ± 0.002°
γ	90°
Cell volume	2274.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
301152 (current)	2025-07-06	cif/ Updating files of 7160423 Original log message: Adding full bibliography for 7160423.cif.	7160423.cif
298495	2025-03-18	cif/ Adding structures of 7160423 via cif-deposit CGI script.	7160423.cif