Information card for entry 4114500

Structure parameters

• Formula: C83 H62
• Calculated formula: C83 H62
• SMILES: c1(ccccc1)CC1(c2ccccc2c2ccccc12)CC1(c2ccccc2c2ccccc12)CC1(c2ccccc2c2ccccc12)CC1(c2ccccc2c2ccccc12)CC1(c2ccccc2c2ccccc12)Cc1ccccc1
• 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: 11.5072 ± 0.0005 Å
• b: 22.102 ± 0.001 Å
• c: 27.047 ± 0.002 Å
• α: 90°
• β: 89.836 ± 0.001°
• γ: 90°
• Cell volume: 6878.9 ± 0.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 2
• 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: 0.355
• Residual factor for significantly intense reflections: 0.143
• Weighted residual factors for all reflections: 0.3409
• Goodness-of-fit parameter for all reflections: 1.741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.741
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No