Crystallography Open Database

Information card for entry 7134325

Preview

Coordinates	7134325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 F2 N4 O2
Calculated formula	C28 H16 F2 N4 O2
Title of publication	Synthesis of highly substituted 2-hydroxybenzophenones through skeletal clipping of 3-benzofuranones
Authors of publication	Zhang, Chuan-Bao; Xu, Jiying; Wang, Xiao-Qing; Deng, Yi-Hang; Dou, Pei-Hao; Xu, Wen-Li; Han, Qiu-Xia; Zhao, Lili; Fu, Ji-Ya
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	30
Pages of publication	5645 - 5648
a	8.9992 ± 0.0009 Å
b	11.0091 ± 0.0012 Å
c	29.001 ± 0.003 Å
α	90°
β	91.719 ± 0.002°
γ	90°
Cell volume	2871.9 ± 0.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0994
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
300490 (current)	2025-07-06	cif/ Updating files of 7134325, 7134326 Original log message: Adding full bibliography for 7134325--7134326.cif.	7134325.cif
298414	2025-03-13	cif/ Adding structures of 7134325, 7134326 via cif-deposit CGI script.	7134325.cif