Crystallography Open Database

Information card for entry 7238938

Preview

Coordinates	7238938.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-ethyl 2-(2-(2-(2,4-dinitrophenyl)hydrazono)-2-phenylethyl)-2,5-dimethyl-7-phenylbenzo[d][1,3]dioxole-4-carboxylate
Formula	C32 H27 N4 O8
Calculated formula	C32 H27 N4 O8
Title of publication	Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate
Authors of publication	Wang, Qiang; Xu, Zhouqing; Fan, Xuesen
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	13
Pages of publication	4156
a	10.085 ± 0.002 Å
b	11.302 ± 0.002 Å
c	13.269 ± 0.003 Å
α	80.76 ± 0.03°
β	78.81 ± 0.03°
γ	82.3 ± 0.03°
Cell volume	1456.1 ± 0.5 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	0.0884
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
244472 (current)	2019-11-28	cif/ Adding structures of 7238936, 7238937, 7238938 via cif-deposit CGI script.	7238938.cif