Information card for entry 4112595

Structure parameters

• Formula: C55 H31 N7 O7
• Calculated formula: C55 H30 N7 O7
• 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: 9.3171 ± 0.0002 Å
• b: 11.5016 ± 0.0003 Å
• c: 20.4556 ± 0.0007 Å
• α: 80.867 ± 0.005°
• β: 80.186 ± 0.005°
• γ: 77.429 ± 0.005°
• Cell volume: 2091.27 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.148
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections: 1.395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No