Crystallography Open Database

Information card for entry 7052688

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Structure parameters

Formula	C10 H5 I O3
Calculated formula	C10 H5 I O3
SMILES	IC1=C(C(=O)c2c(C1=O)cccc2)O
Title of publication	Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone
Authors of publication	Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	8
Pages of publication	1615
a	4.9287 ± 0.0007 Å
b	13.501 ± 0.002 Å
c	14.126 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	940 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.056
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
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7052688.cif
180080	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052688.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052688.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052688.cif
23729	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052688, 7052689, 7052690 via cif-deposit CGI script.	7052688.cif