Crystallography Open Database

Information card for entry 7157482

Preview

Coordinates	7157482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H56 N8 O40
Calculated formula	C80 H56 N8 O40
Title of publication	Ni(ii)-Catalyzed vinylic C-H functionalization of 2-acetamido-3-arylacrylates to access isotetronic acids.
Authors of publication	Roy, Biswajit; Das, Eshani; Roy, Avijit; Mal, Dipakranjan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	19
Pages of publication	3697 - 3706
a	25.689 ± 0.005 Å
b	10.003 ± 0.002 Å
c	7.418 ± 0.002 Å
α	90 ± 0.03°
β	105.62 ± 0.03°
γ	90 ± 0.03°
Cell volume	1835.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
252913 (current)	2020-06-05	cif/ Updating files of 7157480, 7157481, 7157482, 7157483 Original log message: Adding full bibliography for 7157480--7157483.cif.	7157482.cif
251122	2020-04-24	cif/ Adding structures of 7157480, 7157481, 7157482, 7157483 via cif-deposit CGI script.	7157482.cif