Information card for entry 7111738

Structure parameters

• Formula: C39.17 H51.33 Cl0.33 N5 O14
• Calculated formula: C39.17 H51.34 Cl0.34 N5 O14
• Title of publication: Nanotubular non-covalent macrocycle within non-covalent macrocycle assembly: (MeOH)12 encapsulated in a molecular clip cyclododecamer
• Authors of publication: Cao, Li-Ping; Meng, Xiang-Gao; Ding, Jiao-Yang; Chen, Yun-Feng; Gao, Meng; Wu, Yan-Dong; Li, Yi-Tao; Wu, An-Xin; Isaacs, Lyle
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 4508 - 4510
• a: 36.4925 ± 0.0004 Å
• b: 36.4925 ± 0.0004 Å
• c: 16.5404 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19075.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No