Information card for entry 2205588

Structure parameters

• Common name: Diiodoazulene
• Chemical name: 1,3-Diiodoazulene
• Formula: C10 H6 I2
• Calculated formula: C10 H6 I2
• SMILES: Ic1cc(I)c2cccccc12
• Title of publication: 1,3-Diiodoazulene
• Authors of publication: Chen, Xue-Yi; Dias, Jerry R.; Powell, Doug R.; Van Horn, J. David; Sandreczki, Thomas C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o944 - o946
• a: 7.487 ± 0.003 Å
• b: 23.287 ± 0.009 Å
• c: 5.675 ± 0.002 Å
• α: 90°
• β: 95.579 ± 0.007°
• γ: 90°
• Cell volume: 984.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes