Information card for entry 1505546

Structure parameters

• Formula: C47.33 H51.97 F7.2 N2.2 O9.19 P1.2
• Calculated formula: C47.436 H51.058 F7.2 N2.2 O9.206 P1.2
• Title of publication: Formation of ternary complexes between a macrotricyclic host and hetero-guest pairs: an acid-base controlled selective complexation process.
• Authors of publication: Han, Tao; Chen, Chuan-Feng
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 4207 - 4210
• a: 12.706 ± 0.003 Å
• b: 20.186 ± 0.004 Å
• c: 19.259 ± 0.004 Å
• α: 90°
• β: 105.74 ± 0.03°
• γ: 90°
• Cell volume: 4754.4 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.142
• Residual factor for significantly intense reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.3852
• Weighted residual factors for all reflections included in the refinement: 0.3975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.626
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No