Information card for entry 2207826

Structure parameters

• Chemical name: 5-Formyl-2-methoxyphenyl 2-iodobenzoate
• Formula: C15 H11 I O4
• Calculated formula: C15 H11 I O4
• SMILES: Ic1c(C(=O)Oc2c(OC)ccc(c2)C=O)cccc1
• Title of publication: 5-Formyl-2-methoxyphenyl 2-iodobenzoate
• Authors of publication: Hu, Qing-Ping; Li, Yan; Zhou, Hong-Yu; Zheng, Xiu-Fang; Ma, Ming-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o109 - o110
• a: 7.473 ± 0.0015 Å
• b: 8.1841 ± 0.0017 Å
• c: 11.956 ± 0.003 Å
• α: 74.517 ± 0.003°
• β: 86.831 ± 0.004°
• γ: 84.019 ± 0.003°
• Cell volume: 700.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes