Information card for entry 1571674

Structure parameters

• Chemical name: Methyl 2-hydroxy-4-iodobenzoate
• Formula: C8 H7 I O3
• Calculated formula: C8 H7 I O3
• Title of publication: Methyl 2-hydroxy-4-iodobenzoate
• Authors of publication: Kimble, Marten J.; Myers, Shea D.; Benedict, Jason B.
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 5
• a: 4.3286 ± 0.0008 Å
• b: 21.334 ± 0.004 Å
• c: 9.2941 ± 0.0016 Å
• α: 90°
• β: 93.744 ± 0.004°
• γ: 90°
• Cell volume: 856.4 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No