Information card for entry 1511854

Structure parameters

• Formula: C36 H50
• Calculated formula: C36 H50
• SMILES: CCC(=C(\C(=C(/c1ccccc1)CC)CC)CC)/C(=C(\C(=C(/c1ccccc1)CC)CC)CC)CC
• Title of publication: Construction of octaalkyl-substituted and decasubstituted all-cis-octatetraenes via linear dimerization of 1,4-dicopper-1,3-butadienes and subsequent cross-coupling with halides.
• Authors of publication: Wei, Junnian; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1222 - 1225
• a: 13.9811 ± 0.0005 Å
• b: 14.0204 ± 0.0005 Å
• c: 15.849 ± 0.0006 Å
• α: 90°
• β: 95.903 ± 0.003°
• γ: 90°
• Cell volume: 3090.3 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0495
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No