Information card for entry 4113960

Structure parameters

• Formula: C43 H34
• Calculated formula: C43 H34
• SMILES: CC1(c2ccccc2c2ccccc12)CC1(c2ccccc2c2ccccc12)CC1(c2ccccc2c2ccccc12)C
• Title of publication: Synthesis, Structure, and Evaluation of the Effect of Multiple Stacking on the Electron-Donor Properties of π-Stacked Polyfluorenes
• Authors of publication: Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8712 - 8713
• a: 10.963 ± 0.0017 Å
• b: 21.074 ± 0.004 Å
• c: 13.47 ± 0.003 Å
• α: 90°
• β: 103.575 ± 0.004°
• γ: 90°
• Cell volume: 3025.1 ± 1 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: 0.1189
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No