Information card for entry 2023488

Structure parameters

• Chemical name: Perethoxy-prism[6]arene 1,6-diiodohexane disolvate
• Formula: C102 H120 I4 O12
• Calculated formula: C102 H120 I4 O12
• Title of publication: Crystal structures and supramolecular interactions of prism[6]arene-based host–guest systems with dihalohexanes
• Authors of publication: Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 38.728 ± 0.003 Å
• b: 10.5427 ± 0.0006 Å
• c: 24.0234 ± 0.0016 Å
• α: 90°
• β: 106.814 ± 0.008°
• γ: 90°
• Cell volume: 9389.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No