Crystallography Open Database

Information card for entry 7133046

Preview

Coordinates	7133046.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 O5
Calculated formula	C17 H18 O5
SMILES	O(C(=O)CC(C(=O)OC)c1cc2c(cc(OC)cc2)cc1)C
Title of publication	Electrochemical ring-opening carboxylation of cyclic carbonate with carbon dioxide.
Authors of publication	Tao, Li; Wang, He; Liu, Xiao-Fei; Ren, Wei-Min; Lu, Xiao-Bing; Zhang, Wen-Zhen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	44
Pages of publication	5735 - 5738
a	5.8137 ± 0.0004 Å
b	8.5017 ± 0.0005 Å
c	16.6639 ± 0.001 Å
α	99.886 ± 0.003°
β	92.872 ± 0.003°
γ	108.302 ± 0.003°
Cell volume	765.58 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.5 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292770 (current)	2024-07-05	cif/ Updating files of 7133043, 7133044, 7133045, 7133046 Original log message: Adding full bibliography for 7133043--7133046.cif.	7133046.cif
291805	2024-05-11	cif/ Adding structures of 7133043, 7133044, 7133045, 7133046 via cif-deposit CGI script.	7133046.cif