Information card for entry 7117946

Structure parameters

• Formula: C39 H47 F12 N5 P2
• Calculated formula: C39 H47 F12 N5 P2
• Title of publication: Viologen cyclophanes: redox controlled host-guest interactions
• Authors of publication: Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15772
• a: 14.767 ± 0.005 Å
• b: 15.632 ± 0.005 Å
• c: 18.005 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4156 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No