Information card for entry 2235998

Structure parameters

• Chemical name: 1,1,1-trichloro-2,2-bis(4-iodophenyl)ethane
• Formula: C14 H9 Cl3 I2
• Calculated formula: C14 H9 Cl3 I2
• SMILES: Ic1ccc(C(C(Cl)(Cl)Cl)c2ccc(I)cc2)cc1
• Title of publication: 1,1,1-Trichloro-2,2-bis(4-iodophenyl)ethane
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2504
• a: 9.8117 ± 0.0003 Å
• b: 20.3445 ± 0.0004 Å
• c: 8.0486 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1606.61 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes