Information card for entry 4115380

Structure parameters

• Formula: C34 H44
• Calculated formula: C34 H44
• SMILES: C(=C(c1c(c(c(c(c1C)C)C)C)C)\CCCC)(c1c(c(c(c(c1C)C)C)C)C)\c1ccccc1
• Title of publication: A Remarkably Efficient Synthesis of Pure cis-Stilbenoid Hydrocarbons Using trans-Dibromoalkenes via Palladium Catalysis
• Authors of publication: Rajendra Rathore; Mihaela I. Deselnicu; Carrie L. Burns
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14832 - 14833
• a: 8.491 ± 0.0009 Å
• b: 9.8941 ± 0.001 Å
• c: 16.8648 ± 0.0017 Å
• α: 98.979 ± 0.002°
• β: 100.758 ± 0.002°
• γ: 91.471 ± 0.002°
• Cell volume: 1372.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2721
• Weighted residual factors for all reflections included in the refinement: 0.2879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No