Information card for entry 7111737

Structure parameters

• Formula: C35 H35 N5 O9
• Calculated formula: C35 H35 N5 O9
• 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: 10.9776 ± 0.0009 Å
• b: 18.8944 ± 0.0016 Å
• c: 16.5449 ± 0.0014 Å
• α: 90°
• β: 106.843 ± 0.002°
• γ: 90°
• Cell volume: 3284.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1246
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No