Information card for entry 7054167

Structure parameters

• Common name: awc8044
• Formula: C88 H104 Br8 O8
• Calculated formula: C88 H104 Br8 O8
• 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: 15.8507 ± 0.0003 Å
• b: 16.6896 ± 0.0003 Å
• c: 18.4507 ± 0.0004 Å
• α: 107.079 ± 0.001°
• β: 90.82 ± 0.001°
• γ: 114.725 ± 0.001°
• Cell volume: 4184.8 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No