Information card for entry 4114494

Structure parameters

• Formula: C27 H20
• Calculated formula: C27 H20
• SMILES: C1(c2ccccc2c2ccccc12)CC1c2ccccc2c2ccccc12
• 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: 9.9303 ± 0.0005 Å
• b: 8.5039 ± 0.0004 Å
• c: 22.03 ± 0.001 Å
• α: 90°
• β: 98.922 ± 0.002°
• γ: 90°
• Cell volume: 1837.84 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.0896
• Goodness-of-fit parameter for all reflections: 0.964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No