Information card for entry 1505814

Structure parameters

• Formula: C95 H120 Cl2 F12 N2 O16 P2
• Calculated formula: C95 H120 Cl2 F12 N2 O16 P2
• Title of publication: Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.
• Authors of publication: Zong, Qian-Shou; Chen, Chuan-Feng
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 211 - 214
• a: 13.944 ± 0.003 Å
• b: 14.295 ± 0.004 Å
• c: 15.3 ± 0.004 Å
• α: 82.786 ± 0.005°
• β: 66.607 ± 0.004°
• γ: 63.871 ± 0.004°
• Cell volume: 2508.5 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2023
• Residual factor for significantly intense reflections: 0.1113
• Weighted residual factors for significantly intense reflections: 0.325
• Weighted residual factors for all reflections included in the refinement: 0.3954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No