Information card for entry 1574689

Structure parameters

• Formula: C64 H40 N8
• Calculated formula: C64 H40 N8
• Title of publication: iso-TEtraQuinoline (i-TEQ): an inherently chiral N4 macrocyclic quinoline tetramer
• Authors of publication: Yagami, Ryota; Xu, Wei; Kobayashi, Toi; Nagata, Yuuya; Kumagai, Naoya
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 10714 - 10721
• a: 11.2428 ± 0.0001 Å
• b: 12.0593 ± 0.0001 Å
• c: 16.9374 ± 0.0002 Å
• α: 97.179 ± 0.001°
• β: 90.825 ± 0.001°
• γ: 103.73 ± 0.001°
• Cell volume: 2210.96 ± 0.04 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No