Information card for entry 4024180

Structure parameters

• Formula: C80.5 H95.75 Cl2 Li2 N3.25 O30
• Calculated formula: C80.5 H95 Cl2 Li2 N3.25 O30
• 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: 11.892 ± 0.006 Å
• b: 15.745 ± 0.007 Å
• c: 22.822 ± 0.011 Å
• α: 99.818 ± 0.01°
• β: 93.828 ± 0.006°
• γ: 97.213 ± 0.009°
• Cell volume: 4160 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1993
• Residual factor for significantly intense reflections: 0.1604
• Weighted residual factors for significantly intense reflections: 0.4303
• Weighted residual factors for all reflections included in the refinement: 0.4592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.609
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No