Information card for entry 2213722

Structure parameters

• Chemical name: 4-Hydroxy-3-iodo-5-methoxybenzaldehyde
• Formula: C8 H7 I O3
• Calculated formula: C8 H7 I O3
• SMILES: Ic1c(O)c(OC)cc(c1)C=O
• Title of publication: 4-Hydroxy-3-iodo-5-methoxybenzaldehyde
• Authors of publication: Zhou, Qing-Li; Wang, Chang-Lu; Jing, Zuo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2795 - o2795
• a: 16.332 ± 0.002 Å
• b: 16.344 ± 0.002 Å
• c: 6.5957 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1760.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes