Information card for entry 7102867

Structure parameters

• Formula: C26 H34 I2 N2 O2
• Calculated formula: C26 H34 I2 N2 O2
• SMILES: c1(c(c(ccc1)I)C(=O)N(C(C)C)C(C)C)c1c(c(ccc1)I)C(=O)N(C(C)C)C(C)C
• Title of publication: Conformational switching between diastereoisomeric atropisomers of arenedicarboxamides induced by complexation with Lewis acids.
• Authors of publication: Clayden, Jonathan; Vallverdú, Lluís; Clayton, James; Helliwell, Madeleine
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 561 - 563
• a: 13.088 ± 0.001 Å
• b: 13.546 ± 0.001 Å
• c: 7.532 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.35 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No