Information card for entry 1515387

Structure parameters

• Formula: C51 H60 Br2 O10
• Calculated formula: C51 H60 Br2 O10
• SMILES: BrCCCCOc1cc2Cc3cc(OC)c(cc3OC)Cc3cc(OC)c(cc3OC)Cc3c(cc(Cc4c(cc(Cc1cc2OCCCCBr)c(OC)c4)OC)c(OC)c3)OC
• Title of publication: Pillar[5]arene‒neutral guest recognition based supramolecular alternating copolymer containing [c2]daisy chain and bis-pillar[5]arene units
• Authors of publication: Wang, Xiaoyang; Han, Kang; Li, Jian; Jia, Xueshun; Li, Chunju
• Journal of publication: Polymer Chemistry
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 14
• Pages of publication: 3998
• a: 37.756 ± 0.004 Å
• b: 11.9135 ± 0.0011 Å
• c: 27.853 ± 0.005 Å
• α: 90°
• β: 129.968 ± 0.001°
• γ: 90°
• Cell volume: 9602 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No