Crystallography Open Database

Information card for entry 7246940

Preview

Coordinates	7246940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 N O8
Calculated formula	C26 H25 N O8
Title of publication	Catalyst-free racemic and H2O/CPA-catalyzed asymmetric regio-reversed domino processes of triketone enones with azlactones
Authors of publication	Fu, Yun-Dong; Gao, Xiang; Jia, Shi-Kun; Xiao, Xiao; Wang, Min-Can; Huang, Lihua; Mei, Guang-Jian
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	14
Pages of publication	5692 - 5697
a	7.6044 ± 0.0005 Å
b	9.6671 ± 0.0006 Å
c	31.908 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2345.6 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286147 (current)	2023-09-05	cif/ Updating files of 7246940 Original log message: Adding full bibliography for 7246940.cif.	7246940.cif
284636	2023-06-29	cif/ Adding structures of 7246940 via cif-deposit CGI script.	7246940.cif