Information card for entry 2236939

Structure parameters

• Chemical name: 9,10-diiodophenanthrene
• Formula: C14 H8 I2
• Calculated formula: C14 H8 I2
• SMILES: Ic1c(I)c2ccccc2c2c1cccc2
• Title of publication: 9,10-Diiodophenanthrene
• Authors of publication: Yokota, Ruri; Kitamura, Chitoshi; Kawase, Takeshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3323
• a: 18.094 ± 0.002 Å
• b: 9.4557 ± 0.0014 Å
• c: 7.4187 ± 0.001 Å
• α: 90°
• β: 111.953 ± 0.003°
• γ: 90°
• Cell volume: 1177.2 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes