Information card for entry 2227703

Structure parameters

• Chemical name: 1,8-Diiodoanthracene
• Formula: C14 H8 I2
• Calculated formula: C14 H8 I2
• SMILES: Ic1c2cc3c(I)cccc3cc2ccc1
• Title of publication: 1,8-Diiodoanthracene
• Authors of publication: Nakanishi, Waka; Hitosugi, Shunpei; Piskareva, Anna; Isobe, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2515
• a: 10.1167 ± 0.0011 Å
• b: 10.868 ± 0.0011 Å
• c: 11.393 ± 0.0012 Å
• α: 90°
• β: 101.829 ± 0.001°
• γ: 90°
• Cell volume: 1226 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0145
• Residual factor for significantly intense reflections: 0.0137
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes