Information card for entry 7052688

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 ų
• 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 Fobs: No