Information card for entry 4112598

Structure parameters

• Formula: C42 H26 Cl3 F6 N4 O4
• Calculated formula: C29.5 H22.5 Cl2.995 F3 N3 O2.5
• Title of publication: Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers
• Authors of publication: Anne Petitjean; Richard G. Khoury; Nathalie Kyritsakas; Jean-Marie Lehn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6637 - 6647
• a: 13.31 ± 0.003 Å
• b: 13.49 ± 0.003 Å
• c: 16.66 ± 0.003 Å
• α: 81.15 ± 0.03°
• β: 74.62 ± 0.03°
• γ: 80.74 ± 0.03°
• Cell volume: 2827.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1371
• Residual factor for significantly intense reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.3123
• Weighted residual factors for all reflections included in the refinement: 0.3282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No