Information card for entry 2220680

Structure parameters

• Chemical name: (<i>Z</i>,<i>E</i>,<i>Z</i>)-1,6-Di-1-naphthylhexa-1,3,5-triene
• Formula: C26 H20
• Calculated formula: C26 H20
• SMILES: C(=C\C=C/c1cccc2c1cccc2)/C=C\c1cccc2c1cccc2
• Title of publication: (<i>Z</i>,<i>E</i>,<i>Z</i>)-1,6-Di-1-naphthylhexa-1,3,5-triene
• Authors of publication: Sonoda, Yoriko; Yoshida, Masaru; Goto, Midori
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o294
• a: 5.0071 ± 0.0008 Å
• b: 11.0709 ± 0.0017 Å
• c: 16.11 ± 0.003 Å
• α: 90°
• β: 96.535 ± 0.003°
• γ: 90°
• Cell volume: 887.2 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes