Information card for entry 7110719

Structure parameters

• Formula: C106.6 H163.2 Cl17.2 Na6 O6
• Calculated formula: C106.58 H158 Cl17.18 Na6 O6
• Title of publication: Selective binding of substrates using sodium salts of linked C3 symmetric aryl oxides
• Authors of publication: Dinger, Maarten B.; Scott, Michael J.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 2525
• a: 14.423 ± 0.0016 Å
• b: 14.423 ± 0.0016 Å
• c: 50.468 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9092 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No