Information card for entry 7160508

Structure parameters

• Formula: C44 H54 N4 O10
• Calculated formula: C44 H54 N4 O10
• Title of publication: An aromatic layered foldamer based on a (<i>cis</i>, <i>cis</i>)-squaramide: chiral induction and absolute structure.
• Authors of publication: Kuyama, Kazusa; Takeda, Fumi; Ikeda, Ayano; Tanaka, Kimiko; Katagiri, Kosuke; Kawahata, Masatoshi; Okada, Yusuke; Kobayashi, Nagao; Kagechika, Hiroyuki; Tanatani, Aya
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4927 - 4933
• a: 16.05 ± 0.003 Å
• b: 8.83 ± 0.0018 Å
• c: 16.355 ± 0.003 Å
• α: 90°
• β: 116.59 ± 0.03°
• γ: 90°
• Cell volume: 2072.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No