Crystallography Open Database

Information card for entry 7133043

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Coordinates	7133043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 O4
Calculated formula	C12 H14 O4
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, Xiaobing; Zhang, Wen-Zhen
Journal of publication	Chemical Communications
Year of publication	2024
a	5.8827 ± 0.0003 Å
b	24.9167 ± 0.0009 Å
c	8.1339 ± 0.0003 Å
α	90°
β	110.149 ± 0.001°
γ	90°
Cell volume	1119.28 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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