Information card for entry 1506267

Structure parameters

• Formula: C60 H84 F12 K2 N2 O15 P2
• Calculated formula: C60 H84 F12 K2 N2 O15 P2
• Title of publication: Novel tetramethoxy resorcinarene bis-crown ethers.
• Authors of publication: Salorinne, Kirsi; Nissinen, Maija
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 24
• Pages of publication: 5473 - 5476
• a: 17.3738 ± 0.0006 Å
• b: 15.9352 ± 0.0005 Å
• c: 24.4132 ± 0.0008 Å
• α: 90°
• β: 91.8 ± 0.002°
• γ: 90°
• Cell volume: 6755.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No