Information card for entry 7107728

Structure parameters

• Formula: C22 H24 O4
• Calculated formula: C22 H24 O4
• SMILES: O(C)c1ccc(COc2ccc(C(=O)CC3C(=O)CCCC3)cc2)cc1
• Title of publication: Sunlight-driven synthesis of Y-diketones via oxidative coupling of enamines with silyl enol ethers catalyzed by [Ru(bpy)3]2+
• Authors of publication: Yusuke Yasu; Takashi Koike; Munetaka Akita
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5355
• a: 6.9714 ± 0.0017 Å
• b: 9.36 ± 0.003 Å
• c: 15.546 ± 0.004 Å
• α: 75.68 ± 0.004°
• β: 82.15 ± 0.003°
• γ: 68.441 ± 0.003°
• Cell volume: 913 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2169
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No