Information card for entry 7051658

Structure parameters

• Formula: C24 H21 I N2
• Calculated formula: C24 H21 I N2
• Title of publication: Synthesis and characterisation of substituted diphenylamines—charge-transfer, donor‒acceptor systems localised at water‒oil interfaces
• Authors of publication: Kowalski, K.; Long, N. J.; Kuimova, M. K.; Kornyshev, A. A.; Taylor, A. G.; White, A. J. P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 598
• a: 5.69284 ± 0.00014 Å
• b: 40.9581 ± 0.001 Å
• c: 9.1109 ± 0.0002 Å
• α: 90°
• β: 101.802 ± 0.002°
• γ: 90°
• Cell volume: 2079.46 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No