Information card for entry 7153005

Structure parameters

• Formula: C41 H44 N2 O4
• Calculated formula: C41 H26 N2 O4
• 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: 10.771 ± 0.004 Å
• b: 12.902 ± 0.005 Å
• c: 14.467 ± 0.006 Å
• α: 114.478 ± 0.005°
• β: 91.822 ± 0.006°
• γ: 107.997 ± 0.005°
• Cell volume: 1710.3 ± 1.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2965
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2391
• Weighted residual factors for all reflections included in the refinement: 0.349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No