Information card for entry 4339295

Structure parameters

• Formula: C20 H38 B F4 Li N2 O7
• Calculated formula: C20 H38 B F4 Li N2 O7
• Title of publication: Wurster's crowns: a comparative study of ortho- and para-phenylenediamine-containing macrocyclic receptors.
• Authors of publication: Sibert, John W.; Forshee, Philip B.; Hundt, Greg R.; Sargent, Andrew L.; Bott, Simon G.; Lynch, Vincent
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10913 - 10925
• a: 11.3765 ± 0.0003 Å
• b: 12.145 ± 0.0003 Å
• c: 18.5284 ± 0.0004 Å
• α: 90°
• β: 95.049 ± 0.001°
• γ: 90°
• Cell volume: 2550.09 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.1091
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No