Crystallography Open Database

Information card for entry 1571966

1571965 << 1571966 >> 1571967

Preview

Coordinates	1571966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H15 F7 N2 O
Calculated formula	C25 H15 F7 N2 O
Title of publication	Chemo-, regio-, and stereoselective tetrafunctionalization of fluoroalkynes enables divergent synthesis of 5-7-membered azacycles.
Authors of publication	Chen, Jia-Wei; Ji, Wen-Jun; Huang, Xue-Ying; Ge, Danhua; Shen, Zhi-Liang; Guo, Kai; Chu, Xue-Qiang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	30
Pages of publication	12026 - 12035
a	10.8721 ± 0.0003 Å
b	42.5797 ± 0.0009 Å
c	10.9151 ± 0.0003 Å
α	90°
β	118.699 ± 0.004°
γ	90°
Cell volume	4432.2 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 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	0.1053
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2539
Weighted residual factors for all reflections included in the refinement	0.2686
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293766 (current)	2024-08-05	cif/ Updating files of 1571965, 1571966, 1571967 Original log message: Adding full bibliography for 1571965--1571967.cif.	1571966.cif
292546	2024-06-25	cif/ Adding structures of 1571965, 1571966, 1571967 via cif-deposit CGI script.	1571966.cif