Information card for entry 1554541

Structure parameters

• Formula: C42 H36
• Calculated formula: C42 H36
• Title of publication: [15]Paracyclophane and [16]paracyclophane: facile syntheses, crystal structures and selective complexation with cesium cations in the gas phase
• Authors of publication: Liu, Peiren; Li, Qi; Zeng, Hong; Shi, Bingbing; Liu, Jiyong; Huang, Feihe
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 309
• a: 11.372 ± 0.0004 Å
• b: 13.1796 ± 0.0006 Å
• c: 24.509 ± 0.001 Å
• α: 105.144 ± 0.004°
• β: 93.375 ± 0.003°
• γ: 90.36 ± 0.003°
• Cell volume: 3538.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No