Information card for entry 4104436

Structure parameters

• Formula: C73 H82 I N O16 P4
• Calculated formula: C64 H64 I N O13 P4
• Title of publication: Molecular Recognition on a Cavitand-Functionalized Silicon Surface
• Authors of publication: Elisa Biavardi; Maria Favazza; Alessandro Motta; Ignazio L. Fragalà; Chiara Massera; Luca Prodi; Marco Montalti; Monica Melegari; Guglielmo G. Condorelli; Enrico Dalcanale
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7447 - 7455
• a: 15.313 ± 0.003 Å
• b: 16.539 ± 0.004 Å
• c: 16.677 ± 0.004 Å
• α: 67.754 ± 0.004°
• β: 68.076 ± 0.004°
• γ: 85.881 ± 0.004°
• Cell volume: 3614.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No