Crystallography Open Database

Information card for entry 7134326

Preview

Coordinates	7134326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O3
Calculated formula	C28 H22 N2 O3
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	16.1597 ± 0.0016 Å
b	10.6689 ± 0.001 Å
c	13.0214 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2245 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7134326.cif
298414	2025-03-13	cif/ Adding structures of 7134325, 7134326 via cif-deposit CGI script.	7134326.cif