Crystallography Open Database

Information card for entry 7157111

Preview

Coordinates	7157111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N3 O3
Calculated formula	C19 H17 N3 O3
Title of publication	Facile access to evodiakine enabled by aerobic copper-catalyzed oxidative rearrangement.
Authors of publication	Su, Yiting; Huang, Gaofeng; Ye, Fu; Qiao, Panpan; Ye, Jinxiang; Gao, Yu; Chen, Haijun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	39
Pages of publication	8811 - 8815
a	16.6547 ± 0.0007 Å
b	13.5081 ± 0.0006 Å
c	16.2182 ± 0.0007 Å
α	90°
β	117.968 ± 0.001°
γ	90°
Cell volume	3222.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
225112 (current)	2019-11-08	cif/ Updating files of 7157110, 7157111 Original log message: Adding full bibliography for 7157110--7157111.cif.	7157111.cif
218852	2019-09-25	cif/ Adding structures of 7157110, 7157111 via cif-deposit CGI script.	7157111.cif