Information card for entry 7054166

Structure parameters

• Common name: awc8040_KS
• Formula: C64 H56 Br8 O9
• Calculated formula: C64 H56 Br8 O9
• Title of publication: Synthesis, solid state structures and interfacial properties of new para-phosphonato-O-alkoxy-calix[8]arene derivatives
• Authors of publication: Perret, Florent; Suwinska, Kinga; Bertino Ghera, Bernard; Parrot-Lopez, Hélène; Coleman, Anthony W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 893 - 900
• a: 8.7192 ± 0.0007 Å
• b: 26.3 ± 0.001 Å
• c: 15.251 ± 0.002 Å
• α: 90 ± 0.005°
• β: 91.521 ± 0.006°
• γ: 90 ± 0.004°
• Cell volume: 3496.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.147
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.237
• Weighted residual factors for all reflections included in the refinement: 0.2693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No