Information card for entry 7107643

Structure parameters

• Formula: C40 H52 N6 O7.5
• Calculated formula: C40 H52 N6 O7.5
• Title of publication: Molecular chirality and chiral capsule-type dimer formation of cyclic triamides via hydrogen-bonding interactions
• Authors of publication: Noriko Fujimoto; Mio Matsumura; Isao Azumaya; Shizuka Nishiyama; Hyuma Masu; Hiroyuki Kagechika; Aya Tanatani
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4809
• a: 15.2474 ± 0.0012 Å
• b: 29.608 ± 0.002 Å
• c: 9.3379 ± 0.0007 Å
• α: 90°
• β: 103.093 ± 0.001°
• γ: 90°
• Cell volume: 4106 ± 0.5 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No