Information card for entry 2217569

Structure parameters

• Formula: C16 H32 I2
• Calculated formula: C16 H32 I2
• SMILES: ICCCCCCCCCCCCCCCCI
• Title of publication: 1,16-Diiodohexadecane
• Authors of publication: Naotake Nakamura; Daisuke Ishizu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o418 - o418
• a: 22.0407 ± 0.0011 Å
• b: 7.4596 ± 0.0013 Å
• c: 5.7981 ± 0.0018 Å
• α: 90°
• β: 96.872 ± 0.012°
• γ: 90°
• Cell volume: 946.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes