Information card for entry 4114507

Structure parameters

• Formula: C55 H40
• Calculated formula: C55.832 H40
• Title of publication: Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer
• Authors of publication: Tamaki Nakano; Tohru Yade
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15474 - 15484
• a: 16.3629 ± 0.0009 Å
• b: 15.273 ± 0.001 Å
• c: 15.5365 ± 0.0007 Å
• α: 90°
• β: 103.475 ± 0.004°
• γ: 90°
• Cell volume: 3775.9 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0597
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.0777
• Goodness-of-fit parameter for all reflections: 1.401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.401
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No