Information card for entry 7151214

Structure parameters

• Formula: C20 H15 I2 N O
• Calculated formula: C20 H15 I2 N O
• SMILES: c1(ccccc1I)N(C(=O)c1ccccc1I)Cc1ccccc1
• 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: 9.077 ± 0.0008 Å
• b: 10.333 ± 0.0009 Å
• c: 10.925 ± 0.0009 Å
• α: 95.455 ± 0.001°
• β: 101.496 ± 0.001°
• γ: 106.2 ± 0.001°
• Cell volume: 951.82 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No