Information card for entry 7051987

Structure parameters

• Common name: Triiodoresorcinol
• Chemical name: Triiodoresorcinol
• Formula: C6 H3 I3 O2
• Calculated formula: C6 I3 O2.01
• Title of publication: Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol
• Authors of publication: Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 1693
• a: 14.8819 ± 0.001 Å
• b: 4.3317 ± 0.0003 Å
• c: 15.5848 ± 0.0011 Å
• α: 90°
• β: 108.495 ± 0.001°
• γ: 90°
• Cell volume: 952.77 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No