Information card for entry 1502405

Structure parameters

• Chemical name: (2E,4E,6E,8E)-4,7-Dimethyl-3,5,6,8-tetraphenyl-2,4,6,8-decatetraene
• Formula: C36 H34
• Calculated formula: C36 H34
• SMILES: c1ccc(/C(=C\C)C(=C(/C(=C(C(=C/C)/c2ccccc2)\C)c2ccccc2)c2ccccc2)/C)cc1
• Title of publication: Nickel-catalyzed tetramerization of alkynes: synthesis and structure of octatetraenes.
• Authors of publication: Wu, Tsun-Cheng; Chen, Jheng-Jhih; Wu, Yao-Ting
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 4794 - 4797
• a: 9.9211 ± 0.0007 Å
• b: 11.141 ± 0.0008 Å
• c: 12.3491 ± 0.0009 Å
• α: 87.69 ± 0.002°
• β: 76.15 ± 0.002°
• γ: 84.828 ± 0.002°
• Cell volume: 1319.63 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No