Information card for entry 4109346

Structure parameters

• Formula: C173 H135 Cl3 N18 O20
• Calculated formula: C173 H135 Cl3 N18 O20
• Title of publication: Processive Rotaxane Systems. Studies on the Mechanism and Control of the Threading Process
• Authors of publication: Pilar Hidalgo Ramos; Ruud G. E. Coumans; Alexander B. C. Deutman; Jan M. M. Smits; Rene de Gelder; Johannes A. A. W. Elemans; Roeland J. M. Nolte; Alan E. Rowan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5699 - 5702
• a: 15.5934 ± 0.0011 Å
• b: 32.0613 ± 0.0018 Å
• c: 16.2353 ± 0.0013 Å
• α: 90°
• β: 105.16 ± 0.006°
• γ: 90°
• Cell volume: 7834.3 ± 1 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.206
• Residual factor for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections: 0.2939
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2939
• Goodness-of-fit parameter for all reflections: 1.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No