Information card for entry 2201260

Structure parameters

• Chemical name: 3-Hydroxy-2,4,6-triiodobenzaldehyde
• Formula: C7 H3 I3 O2
• Calculated formula: C7 H3 I3 O2
• SMILES: Ic1c(c(I)c(O)c(I)c1)C=O
• Title of publication: 3-Hydroxy-2,4,6-triiodobenzaldehyde
• Authors of publication: Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C; d'A Rocha Gonsalves, A. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o774 - o776
• a: 4.3347 ± 0.0007 Å
• b: 13.858 ± 0.003 Å
• c: 17.019 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1022.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes