Information card for entry 1502403

Structure parameters

• Chemical name: (1E,3E,5E,7E)-1,2,3,4,5,6,7,8-Octaphenyl-1,3,5,7-octatetraene
• Formula: C56 H42
• Calculated formula: C56 H42
• SMILES: c1ccc(cc1)/C=C(C(=C(\C(=C(\C(=C\c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1)/c1ccccc1
• 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: 23.3176 ± 0.0006 Å
• b: 10.4397 ± 0.0003 Å
• c: 16.694 ± 0.0005 Å
• α: 90°
• β: 98.771 ± 0.001°
• γ: 90°
• Cell volume: 4016.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0517
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No