Information card for entry 4029584

Structure parameters

• Formula: C42 H48
• Calculated formula: C42 H48
• Title of publication: Synthesis, structure, and transannular pi-pi interaction of three- and four-layered [3.3]paracyclophanes.
• Authors of publication: Shibahara, Masahiko; Watanabe, Motonori; Iwanaga, Tetsuo; Matsumoto, Taisuke; Ideta, Keiko; Shinmyozu, Teruo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 12
• Pages of publication: 4433 - 4442
• a: 8.6915 ± 0.0019 Å
• b: 9.0317 ± 0.0018 Å
• c: 10.571 ± 0.002 Å
• α: 94.789 ± 0.014°
• β: 89.558 ± 0.015°
• γ: 113.954 ± 0.014°
• Cell volume: 755.4 ± 0.3 ų
• Cell temperature: 123.1 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 significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No