Information card for entry 7108097

Structure parameters

• Formula: C17 H18 O
• Calculated formula: C17 H18 O
• SMILES: O(c1ccc(/C=C/Cc2ccc(cc2)C)cc1)C
• Title of publication: Copper-catalyzed decarboxylative C(sp2)-C(sp3) coupling reactions via radical mechanism
• Authors of publication: Hailong Yang; Peng Sun; Yan Zhu; Hong Yan; Linhua Lu; Xiaoming Qu; Tingyi Li; Jincheng Mao
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7847
• a: 14.423 ± 0.0019 Å
• b: 6.1054 ± 0.0008 Å
• c: 30.487 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2684.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No