Information card for entry 4026137

Structure parameters

• Formula: C75 H69 N15 O6
• Calculated formula: C75 H69 N15 O6
• Title of publication: Synthesis and Functionalization of Heteroatom-Bridged Bicyclocalixaromatics, Large Molecular Triangular Prisms with Electron-Rich and -Deficient Aromatic Interiors
• Authors of publication: Muhammad Moazzam Naseer; De-Xian Wang; Liang Zhao; Zhi-Tang Huang; Mei-Xiang Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1804 - 1813
• a: 23.832 ± 0.003 Å
• b: 23.832 ± 0.003 Å
• c: 21.741 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10694 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2743
• Residual factor for significantly intense reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.3333
• Weighted residual factors for all reflections included in the refinement: 0.3672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.498
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No