Information card for entry 4517457

Structure parameters

• Formula: C20 H26
• Calculated formula: C20 H26
• SMILES: c1(ccccc1)/C=C/C=C/C1=C/CCCCCCCC1
• Title of publication: Synthesis of Trienes by Rhodium-Catalyzed Assembly and Disassembly of Non-Acceptor Cyclopropanes
• Authors of publication: Mato, Mauro; García-Morales, Cristina; Echavarren, Antonio M.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 3564
• a: 21.059 ± 0.002 Å
• b: 5.9199 ± 0.0006 Å
• c: 13.2305 ± 0.0018 Å
• α: 90°
• β: 99.636 ± 0.005°
• γ: 90°
• Cell volume: 1626.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0877
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No