Information card for entry 7216378

Structure parameters

• Formula: C62 H74 N2 O18
• Calculated formula: C62 H74 N2 O18
• Title of publication: Guest induced head-to-tail columnar assembly of 5,17-difunctionalized calix[4]arene
• Authors of publication: Sekiya, Ryo; Yamasaki, Yutaro; Tada, Wataru; Shio, Hidemi; Haino, Takeharu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• a: 35.711 ± 0.003 Å
• b: 9.0453 ± 0.0007 Å
• c: 19.2477 ± 0.0015 Å
• α: 90°
• β: 109.063 ± 0.001°
• γ: 90°
• Cell volume: 5876.4 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No