Information card for entry 7124619

Structure parameters

• Common name: A1/A2-Diethynylbenzene functionalized Pillar[5]arene
• Formula: C60 H56 Cl2 O8
• Calculated formula: C60 H56 Cl2 O8
• Title of publication: A fishing rod-like conjugated polymer bearing pillar[5]arenes.
• Authors of publication: Ma, Yingjie; Chen, Long; Li, Chen; Müllen, Klaus
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 40
• Pages of publication: 6662 - 6664
• a: 12.0691 ± 0.0008 Å
• b: 21.178 ± 0.0013 Å
• c: 20.726 ± 0.0012 Å
• α: 90°
• β: 105.081 ± 0.005°
• γ: 90°
• Cell volume: 5115.1 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1083
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No