Information card for entry 7111518

Structure parameters

• Formula: C34 H56 O2
• Calculated formula: C34 H56 O2
• SMILES: O=C1C(=C([C@]2([C@@]1([C@@]1(C(=O)C(=C([C@]21CCC)CCC)CCC)CCC)CCC)CCC)CCC)CCC.O=C1C(=C([C@@]2([C@]1([C@]1(C(=O)C(=C([C@@]21CCC)CCC)CCC)CCC)CCC)CCC)CCC)CCC
• Title of publication: CuCl-mediated tandem CO insertion and annulation of 1,4-dilithio-1,3-dienes: formation of multiply substituted cyclopentadienones and/or their head-to-head dimers
• Authors of publication: Luo, Qian; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Chemical Communications
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1593 - 1595
• a: 19.655 ± 0.004 Å
• b: 20.326 ± 0.004 Å
• c: 16.036 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6407 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No