Information card for entry 7229532

Structure parameters

• Formula: C56 H62 N2 O8
• Calculated formula: C56 H62 N2 O8
• Title of publication: Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state
• Authors of publication: Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 21.43 ± 0.003 Å
• b: 21.43 ± 0.003 Å
• c: 9.6863 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3852.4 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No