Information card for entry 7250039

Structure parameters

• Formula: C106 H128 Br4 O12
• Calculated formula: C106 H128 Br4 O12
• Title of publication: Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state
• Authors of publication: Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 1873 - 1878
• a: 39.404 ± 0.002 Å
• b: 10.6754 ± 0.0007 Å
• c: 24.3659 ± 0.0014 Å
• α: 90°
• β: 107.392 ± 0.004°
• γ: 90°
• Cell volume: 9781 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1199
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No