Information card for entry 1516606

Structure parameters

• Formula: C30 H24
• Calculated formula: C30 H24
• SMILES: c1ccc(cc1)C(=C\c1ccccc1)/C=C/C(=C/c1ccccc1)c1ccccc1
• Title of publication: Practical and Convenient Synthesis of 1,6-Di- or 1,2,5,6-Tetra-arylhexa-1,3,5-trienes by the Dimerization of Pd(0)-Complexed Alkenylcarbenes Generated from π-Allylpalladium Intermediates.
• Authors of publication: Horino, Yoshikazu; Takahashi, Yu; Koketsu, Kaori; Abe, Hitoshi; Tsuge, Kiyoshi
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 3184 - 3187
• a: 10.58564 ± 0.00019 Å
• b: 6.27352 ± 0.00011 Å
• c: 16.626 ± 0.0003 Å
• α: 90°
• β: 95.2712 ± 0.001°
• γ: 90°
• Cell volume: 1099.45 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No