Crystallography Open Database

Information card for entry 7243571

Preview

Coordinates	7243571.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ethyl (1R,2S,6S)-1-acetyl-2-hydroxy-6-(2-(naphthalen-2-yl)-2-oxoethyl)-5-oxocyclohex-3-ene-1-carboxylate
Formula	C115 H110 O30
Calculated formula	C92 H86 O24
Title of publication	Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis
Authors of publication	Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	50
Pages of publication	31395 - 31399
a	7.6292 ± 0.0015 Å
b	18.955 ± 0.004 Å
c	27.164 ± 0.005 Å
α	90°
β	91.56 ± 0.03°
γ	90°
Cell volume	3926.8 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2201
Residual factor for significantly intense reflections	0.1254
Weighted residual factors for significantly intense reflections	0.2485
Weighted residual factors for all reflections included in the refinement	0.2908
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
269251 (current)	2021-09-23	cif/ Adding structures of 7243570, 7243571, 7243572 via cif-deposit CGI script.	7243571.cif