Information card for entry 7153006

Structure parameters

• Formula: C43 H50
• Calculated formula: C43 H50
• SMILES: c1(ccc(/C=C/c2ccc(cc2)C)c2c3ccccc3C(c12)(CCCCCC)CCCCCC)/C=C/c1ccc(cc1)C
• Title of publication: Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics.
• Authors of publication: Laughlin, Brynna J.; Duniho, Tyler L.; El Homsi, Samantha J.; Levy, Benjamin E.; Deligonul, Nihal; Gaffen, Joshua R.; Protasiewicz, John D.; Tennyson, Andrew G.; Smith, Rhett C.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 33
• Pages of publication: 5425 - 5434
• a: 31.617 ± 0.008 Å
• b: 15.289 ± 0.003 Å
• c: 14.801 ± 0.003 Å
• α: 90°
• β: 108.297 ± 0.006°
• γ: 90°
• Cell volume: 6793 ± 3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.178
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No