Crystallography Open Database

Information card for entry 4034224

Preview

Coordinates	4034224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 N2 O4
Calculated formula	C19 H16 N2 O4
SMILES	c12ccccc1C(=O)NC12CC(=O)N(C1=O)Cc1ccc(cc1)OC
Title of publication	Rhodium(III)-Catalyzed Redox-Neutral 1,1-Cyclization of N-Methoxy Benzamides with Maleimides via C-H/N-H/N-O Activation: Detailed Mechanistic Investigation.
Authors of publication	Ramesh, Balu; Tamizmani, Masilamani; Jeganmohan, Masilamani
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	7
Pages of publication	4058 - 4071
a	17.3441 ± 0.0007 Å
b	5.5569 ± 0.0003 Å
c	18.2798 ± 0.0008 Å
α	90°
β	107.527 ± 0.0018°
γ	90°
Cell volume	1680.01 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0676
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.1022
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
222767 (current)	2019-11-04	cif/ Adding structures of 4034224 via cif-deposit CGI script.	4034224.cif