Information card for entry 1514889

Structure parameters

• Formula: C36.5 H25 Cl3
• Calculated formula: C36.5 H25 Cl3
• Title of publication: π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization
• Authors of publication: Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus
• Journal of publication: Polymer Chemistry
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 2963
• a: 7.5317 ± 0.0007 Å
• b: 21.0519 ± 0.0009 Å
• c: 17.7743 ± 0.0008 Å
• α: 90°
• β: 94.802 ± 0.005°
• γ: 90°
• Cell volume: 2808.3 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections: 0.3077
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No