Information card for entry 7051659

Structure parameters

• Formula: C23.25 H20.5 Cl1.5 N2 O0.5
• Calculated formula: C23.2505 H19.501 Cl1.501 N2 O0.5
• 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: 9.067 ± 0.0017 Å
• b: 10.852 ± 0.002 Å
• c: 21.5 ± 0.004 Å
• α: 100.431 ± 0.015°
• β: 90.436 ± 0.015°
• γ: 103.375 ± 0.016°
• Cell volume: 2021.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1145
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No