Crystallography Open Database

Information card for entry 7240449

Preview

Coordinates	7240449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 N O5
Calculated formula	C35 H35 N O5
Title of publication	An Yb(OTf)3 and visible light relay catalyzed [3 + 2] cycloaddition/[3,3]-rearrangement/[4 + 2] cycloaddition in one pot to prepare oxazonine-fused endoperoxides
Authors of publication	Ma, Xiao-Pan; Nong, Cai-Mei; Liang, Yu-Feng; Xu, Pei-Pei; Guo, Xiu-Yun; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	12
Pages of publication	3827 - 3834
a	9.3207 ± 0.0008 Å
b	10.8786 ± 0.0012 Å
c	14.8658 ± 0.001 Å
α	95.037 ± 0.007°
β	96.282 ± 0.006°
γ	100.049 ± 0.008°
Cell volume	1466.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1101
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
257622 (current)	2020-10-06	cif/ Updating files of 7240449 Original log message: Adding full bibliography for 7240449.cif.	7240449.cif
253925	2020-07-06	cif/ Updating files of 7240449 Original log message: Adding full bibliography for 7240449.cif.	7240449.cif
251522	2020-05-05	cif/ Adding structures of 7240449 via cif-deposit CGI script.	7240449.cif