Information card for entry 2207294

Structure parameters

• Chemical name: (3-Iodophenyl)[2-(3-iodophenylimino)-1-methylpropylidene]amine
• Formula: C16 H14 I2 N2
• Calculated formula: C16 H14 I2 N2
• SMILES: Ic1cccc(c1)/N=C(/C(=N/c1cccc(c1)I)C)C
• Title of publication: (3-Iodophenyl)[2-(3-iodophenylimino)-1-methylpropylidene]amine
• Authors of publication: Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3767 - o3768
• a: 11.481 ± 0.002 Å
• b: 9.2619 ± 0.0019 Å
• c: 15.723 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1671.9 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes