Crystallography Open Database

Information card for entry 7158343

Preview

Coordinates	7158343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 N2 O3
Calculated formula	C30 H28 N2 O3
SMILES	N1(C(=O)[C@H]2[C@@]3([C@H]1CC(=O)c1c3cccc1)c1c(CN2C(=O)c2ccccc2)cccc1)C(C)(C)C.N1(C(=O)[C@@H]2[C@]3([C@@H]1CC(=O)c1c3cccc1)c1c(CN2C(=O)c2ccccc2)cccc1)C(C)(C)C
Title of publication	Palladium-catalyzed post-Ugi arylative dearomatization/Michael addition cascade towards plicamine analogues.
Authors of publication	Liu, Chao; Zhao, Ruiqi; Song, Liangliang; Li, Zhenghua; Tian, Guilong; He, Yi; Van Meervelt, Luc; Peshkov, Vsevolod A.; Van der Eycken, Erik V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	44
Pages of publication	9752 - 9757
a	9.1811 ± 0.0002 Å
b	9.9659 ± 0.0002 Å
c	14.9148 ± 0.0004 Å
α	85.493 ± 0.002°
β	80.059 ± 0.002°
γ	63.776 ± 0.003°
Cell volume	1205.83 ± 0.06 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	0.0583
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
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
271206 (current)	2021-12-07	cif/ Updating files of 7158343 Original log message: Adding full bibliography for 7158343.cif.	7158343.cif
270135	2021-10-29	cif/ Adding structures of 7158343 via cif-deposit CGI script.	7158343.cif