Information card for entry 7053424

Structure parameters

• Formula: C29 H36 I4 N6 O3 S
• Calculated formula: C28.5 H36 I4 N6 O3 S0.5
• Title of publication: Viologen-based redox-switchable anion-binding receptors
• Authors of publication: Kannappan, Ramu; Bucher, Christophe; Saint-Aman, Eric; Moutet, Jean-Claude; Milet, Anne; Oltean, Mircea; Métay, Estelle; Pellet-Rostaing, Stéphane; Lemaire, Marc; Chaix, Carole
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1373
• a: 18.43 ± 0.001 Å
• b: 9.537 ± 0.003 Å
• c: 20.999 ± 0.004 Å
• α: 90°
• β: 91.64 ± 0.02°
• γ: 90°
• Cell volume: 3689.4 ± 1.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections: 1.891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No