Information card for entry 1508822

Structure parameters

• Formula: C26 H20
• Calculated formula: C26 H20
• SMILES: C(=C\C=C\C=C\c1ccc2ccccc2c1)/c1cc2ccccc2cc1
• Title of publication: Fluorescence Properties of (E,E,E)-1,6-Di(n-naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation.
• Authors of publication: Sonoda, Yoriko; Shimoi, Yukihiro; Goto, Midori; Tohnai, Norimitsu; Kanesato, Masatoshi
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 3
• Pages of publication: 566 - 578
• a: 6.556 ± 0.0014 Å
• b: 7.272 ± 0.0015 Å
• c: 18.452 ± 0.004 Å
• α: 90°
• β: 90.519 ± 0.004°
• γ: 90°
• Cell volume: 879.7 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No