Information card for entry 1508841

Structure parameters

• Formula: C26 H24
• Calculated formula: C26 H24
• SMILES: c1(ccccc1)C#CC(=C(C)C)/C=C/C(=C(C)C)C#Cc1ccccc1
• Title of publication: Pd(II)-Catalyzed Highly Regio- and Stereoselective Assembly of C-C Double Bonds: An Efficient Method for the Synthesis of 2,4-Dihalo-1,3,5-trienes from Alkynols.
• Authors of publication: Jiang, Huanfeng; Gao, Yang; Wu, Wanqing; Huang, Yubing
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 238 - 241
• a: 11.406 ± 0.002 Å
• b: 5.8201 ± 0.0012 Å
• c: 15.187 ± 0.003 Å
• α: 90°
• β: 95.53 ± 0.03°
• γ: 90°
• Cell volume: 1003.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No