Information card for entry 1557910

Structure parameters

• Formula: C53 H66 Br4 O10
• Calculated formula: C53 H66 Br4 O10
• Title of publication: Pillar[5]arene-based self-assembled linear supramolecular polymer driven by guest halogen‒halogen interactions in solid and solution states
• Authors of publication: Al-Azemi, Talal F.; Vinodh, Mickey
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 3305 - 3312
• a: 10.3567 ± 0.0008 Å
• b: 12.1184 ± 0.0009 Å
• c: 22.4299 ± 0.0015 Å
• α: 91.283 ± 0.006°
• β: 95.977 ± 0.007°
• γ: 110.754 ± 0.008°
• Cell volume: 2612.8 ± 0.4 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: 0.1513
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No