Crystallography Open Database

Information card for entry 4133198

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Coordinates	4133198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 O6
Calculated formula	C16 H16 O6
Title of publication	Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.
Authors of publication	Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	42
Pages of publication	13580 - 13585
a	9.116 ± 0.007 Å
b	13.014 ± 0.015 Å
c	12.764 ± 0.011 Å
α	90°
β	106.22 ± 0.07°
γ	90°
Cell volume	1454 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0883
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1654
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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