Crystallography Open Database

Information card for entry 1506467

Preview

Coordinates	1506467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N O3
Calculated formula	C17 H15 N O3
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	7.488 ± 0.001 Å
b	8.724 ± 0.001 Å
c	11.424 ± 0.002 Å
α	98.55 ± 0.01°
β	103 ± 0.01°
γ	105.39 ± 0.01°
Cell volume	683.61 ± 0.18 Å³
Cell temperature	103.1 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	0.068
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	12.989
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.	1506467.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506467.cif
50337	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506467 via cif-deposit CGI script.	1506467.cif