Information card for entry 1505812

Structure parameters

• Formula: C76 H86 Cl12 N2 O16
• Calculated formula: C76 H86 Cl12 N2 O16
• 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: 12.41 ± 0.0012 Å
• b: 12.8373 ± 0.0012 Å
• c: 25.498 ± 0.002 Å
• α: 90°
• β: 92.49 ± 0.002°
• γ: 90°
• Cell volume: 4058.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1314
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2583
• Weighted residual factors for all reflections included in the refinement: 0.307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No