Information card for entry 7150741

Structure parameters

• Formula: C50 H70 O13
• Calculated formula: C50 H70 O13
• Title of publication: Synthesis and structure of mono-bridged resorcinarene host: a ditopic receptor for ammonium guests
• Authors of publication: Salorinne, Kirsi; Tero, Tiia-Riikka; Riikonen, Kaisa; Nissinen, Maija
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 20
• Pages of publication: 4211 - 4217
• a: 10.8389 ± 0.0001 Å
• b: 14.9945 ± 0.0001 Å
• c: 16.0372 ± 0.0001 Å
• α: 74.018 ± 0.001°
• β: 70.853 ± 0.001°
• γ: 86.719 ± 0.001°
• Cell volume: 2365.5 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No