Information card for entry 7248915

Structure parameters

• Formula: C104 H128 I7 O20
• Calculated formula: C104 H128 I7 O20
• Title of publication: Influence of halogen–halogen interactions in the self-assembly of pillar[5]arene-based supramolecular polymers
• Authors of publication: Vinodh, Mickey; Alshammari, Anwar A.; Al-Azemi, Talal F.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 29
• Pages of publication: 20553 - 20560
• a: 10.628 ± 0.0009 Å
• b: 12.2335 ± 0.0012 Å
• c: 23.534 ± 0.002 Å
• α: 88.021 ± 0.006°
• β: 77.859 ± 0.006°
• γ: 71.497 ± 0.005°
• Cell volume: 2835 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1935
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.3487
• Weighted residual factors for all reflections included in the refinement: 0.3985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No