Crystallography Open Database

Information card for entry 1506468

Preview

Coordinates	1506468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N O4
Calculated formula	C17 H15 N O4
Title of publication	One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones.
Authors of publication	Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	7
Pages of publication	1211 - 1214
a	7.57 ± 0.02 Å
b	9.27 ± 0.02 Å
c	11.24 ± 0.03 Å
α	107.1 ± 0.1°
β	102 ± 0.1°
γ	99.6 ± 0.1°
Cell volume	715 ± 3 Å³
Cell temperature	296.1 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 significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.812
Diffraction radiation wavelength	1.5419 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506468.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506468.cif
50338	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506468 via cif-deposit CGI script.	1506468.cif