Information card for entry 7157160

Structure parameters

• Formula: C87 H79 N6 O7
• Calculated formula: C87 H79 N6 O7
• Title of publication: Synthesis and chiroptical properties of cylindrical macrocycles comprising two calix[3]aramide moieties.
• Authors of publication: Saito, Yuuki; Satake, Misa; Mori, Ryuichi; Okayasu, Misaki; Masu, Hyuma; Tominaga, Masahide; Katagiri, Kosuke; Yamaguchi, Kentaro; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 230 - 236
• a: 14.89204 ± 0.00007 Å
• b: 17.25623 ± 0.0001 Å
• c: 28.41877 ± 0.00013 Å
• α: 90°
• β: 98.1145 ± 0.0004°
• γ: 90°
• Cell volume: 7229.95 ± 0.06 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No