Crystallography Open Database

Information card for entry 7029517

Preview

Coordinates	7029517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 N O7
Calculated formula	C24 H21 N O7
SMILES	Oc1ccccc1N\C(=C1/C(=O)C=C2Oc3c([C@@]2(C1=O)C)c(O)c(c(O)c3C(=O)C)C)C
Title of publication	The synthesis, characterization, antimicrobial and antimutagenic activities of hydroxyphenylimino ligands and their metal complexes of usnic acid isolated from Usnea longissima.
Authors of publication	Koçer, Sibel; Uruş, Serhan; Cakır, Ahmet; Güllüce, Medine; Dığrak, Metin; Alan, Yusuf; Aslan, Ali; Tümer, Mehmet; Karadayı, Mehmet; Kazaz, Cavit; Dal, Hakan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6148 - 6164
a	7.782 ± 0.003 Å
b	9.277 ± 0.003 Å
c	14.065 ± 0.005 Å
α	90°
β	100.13 ± 0.02°
γ	90°
Cell volume	999.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1685
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.183
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
180001 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/95.	7029517.cif
108334	2014-03-30	cif/ Adding structures of 7029517 via cif-deposit CGI script.	7029517.cif