Information card for entry 7224061

Structure parameters

• Formula: C20 H22 O
• Calculated formula: C20 H22 O
• SMILES: O=C1c2cc(C)cc(c2C(CC1)c1cc(cc(c1)C)C)C
• Title of publication: Direct construction of 4-aryl tetralones via visible-light-induced cyclization of styrenes with molecular oxygen
• Authors of publication: Wang, Kuai; Meng, Ling-Guo; Zhang, Qi; Wang, Lei
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 2864
• a: 8.4061 ± 0.0012 Å
• b: 8.6026 ± 0.0012 Å
• c: 12.582 ± 0.002 Å
• α: 91.647 ± 0.005°
• β: 102.618 ± 0.005°
• γ: 112.149 ± 0.004°
• Cell volume: 816.1 ± 0.2 ų
• Cell temperature: 0 ± 2 K
• Ambient diffraction temperature: 0 ± 2 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: 0.0642
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No