Information card for entry 2023487

Structure parameters

• Chemical name: Perethoxy-prism[6]arene 1,6-dichlorohexane disolvate
• Formula: C102 H120 Cl4 O12
• Calculated formula: C102 H120 Cl4 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: 38.722 ± 0.003 Å
• b: 10.4622 ± 0.0007 Å
• c: 23.891 ± 0.0016 Å
• α: 90°
• β: 106.978 ± 0.008°
• γ: 90°
• Cell volume: 9256.8 ± 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: 0.1611
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No