Information card for entry 1514890

Structure parameters

• Formula: C38 H30
• Calculated formula: C38 H30
• SMILES: Cc1cc(c2ccccc2)c(c(c1)c1ccccc1)c1c(cc(cc1c1ccccc1)C)c1ccccc1
• 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: 7.3789 ± 0.0002 Å
• b: 22.1571 ± 0.0008 Å
• c: 16.3043 ± 0.0005 Å
• α: 90°
• β: 102.057 ± 0.0018°
• γ: 90°
• Cell volume: 2606.87 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 2
• 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: 0.0733
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No