Information card for entry 1505863

Structure parameters

• Formula: C70 H84 F12 N2 O16 P2
• Calculated formula: C70 H84 F12 N2 O16 P2
• Title of publication: A triptycene-based bis(crown ether) host: complexation with both paraquat derivatives and dibenzylammonium salts.
• Authors of publication: Han, Tao; Chen, Chuan-Feng
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1069 - 1072
• a: 15.069 ± 0.003 Å
• b: 24.79 ± 0.006 Å
• c: 25.46 ± 0.006 Å
• α: 114.553 ± 0.004°
• β: 91.187 ± 0.004°
• γ: 102.178 ± 0.005°
• Cell volume: 8393 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.2435
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2819
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No