Information card for entry 4024179

Structure parameters

• Formula: C152 H186 N2 O41
• Calculated formula: C152 H184 N2 O41
• Title of publication: Selective Templated Complexation of a Cylindrical Macrotricyclic Host with Neutral Guests: Three Cation-Controlled Switchable Processes
• Authors of publication: Tao Han; Chuan-Feng Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 7287 - 7293
• a: 48.051 ± 0.007 Å
• b: 9.5884 ± 0.0013 Å
• c: 29.886 ± 0.004 Å
• α: 90°
• β: 91.057 ± 0.003°
• γ: 90°
• Cell volume: 13767 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.255
• Weighted residual factors for all reflections included in the refinement: 0.2895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No