Information card for entry 7107644

Structure parameters

• Formula: C37 H46 N8 O8
• Calculated formula: C37 H42 N8 O8
• 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: 15.344 ± 0.015 Å
• b: 15.344 ± 0.015 Å
• c: 38.99 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9180 ± 16 ų
• Cell temperature: 253 K
• Ambient diffraction temperature: 253 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2408
• Weighted residual factors for all reflections included in the refinement: 0.2729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No