Crystallography Open Database

Information card for entry 7224148

Preview

Coordinates	7224148.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-ethyl 1-(1-(2-(2,4-dinitrophenyl)hydrazono)ethyl)-2-methylcyclopent-2-enecarboxylate
Formula	C17 H20 N4 O6
Calculated formula	C17 H20 N4 O6
SMILES	O=C(OCC)C1(C(=CCC1)C)C(=N\Nc1ccc(N(=O)=O)cc1N(=O)=O)\C
Title of publication	Gold/Gallium-Catalyzed Annulation of 1,3-Dicarbonyl Com-pounds and Cyclopropylacetylenes for Synthesis of Substi-tuted Cyclopentenes
Authors of publication	Shi, Xiaodong; Dong, Boliang; Xi, Yumeng; Su, Yijin; Ahkmedov, Novruz G.; Petersen, Jeffrey L.
Journal of publication	RSC Adv.
Year of publication	2016
a	7.3303 ± 0.0006 Å
b	7.9078 ± 0.0006 Å
c	16.0868 ± 0.0013 Å
α	84.514 ± 0.002°
β	89.785 ± 0.002°
γ	81.048 ± 0.002°
Cell volume	916.86 ± 0.13 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	0.112
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.1883
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176226 (current)	2016-02-05	cif/ Adding structures of 7224148 via cif-deposit CGI script.	7224148.cif