Information card for entry 1569534

Structure parameters

• Chemical name: 1-[1,4-Di(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–\ 1,4-dibromobutane (1/1)
• Formula: C55 H66 Br2 O10
• Calculated formula: C55 H66 Br2 O10
• Title of publication: 1-[1,4-Bis(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–1,4-dibromobutane 1:1 inclusion complex
• Authors of publication: Vinodh, Mickey; Al-Azemi, Talal F.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 7
• a: 11.3071 ± 0.0012 Å
• b: 22.044 ± 0.003 Å
• c: 21.557 ± 0.003 Å
• α: 90°
• β: 104.775 ± 0.007°
• γ: 90°
• Cell volume: 5195.5 ± 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: 0.1376
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No