Crystallography Open Database

Information card for entry 7052690

Preview

Coordinates	7052690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H5 I O3
Calculated formula	C10 H5 I O3
SMILES	IC1=C(O)C(=O)c2ccccc2C1=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	37.766 ± 0.006 Å
b	4.9473 ± 0.0008 Å
c	15.836 ± 0.003 Å
α	90°
β	106.025 ± 0.002°
γ	90°
Cell volume	2843.8 ± 0.8 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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