Information card for entry 2210398

Structure parameters

• Chemical name: Styryl(2-hydroxy-3-iodo-4,6-dimethoxyphenyl)ketone
• Formula: C17 H15 I O4
• Calculated formula: C17 H15 I O4
• SMILES: Ic1c(O)c(C(=O)/C=C/c2ccccc2)c(OC)cc1OC
• Title of publication: 1-(2-Hydroxy-3-iodo-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3610 - o3611
• a: 8.199 ± 0.002 Å
• b: 14.468 ± 0.003 Å
• c: 13.245 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1571.2 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes