Information card for entry 1514888

Structure parameters

• Formula: C36 H26
• Calculated formula: C36 H26
• SMILES: c1(ccccc1)c1cc(c(cc1)c1c(cc(cc1)c1ccccc1)c1ccccc1)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: 9.908 ± 0.0002 Å
• b: 10.7787 ± 0.0003 Å
• c: 12.7321 ± 0.0003 Å
• α: 97.6691 ± 0.0012°
• β: 94.7545 ± 0.0014°
• γ: 115.897 ± 0.0011°
• Cell volume: 1196.95 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No