Information card for entry 7151215

Structure parameters

• Formula: C20 H14 I3 N O
• Calculated formula: C20 H14 I3 N O
• SMILES: c1(c(cccc1)I)N(Cc1c(cccc1)I)C(=O)c1c(cccc1)I
• Title of publication: Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.
• Authors of publication: Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 2106 - 2118
• a: 17.213 ± 0.001 Å
• b: 14.912 ± 0.0008 Å
• c: 15.658 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4019.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No