Information card for entry 7246560

Structure parameters

• Formula: C30 H28 O3
• Calculated formula: C30 H28 O3
• SMILES: O(c1ccc(cc1)C(c1ccc(OC)cc1)(Cc1ccccc1)CC(=O)c1ccccc1)C
• Title of publication: Visible-light-mediated β-acylative divergent alkene difunctionalization with Katritzky salt/CO2
• Authors of publication: Nandi, Shantanu; Das, Pritha; Das, Subhodeep; Mondal, Shuvam; Jana, Ranjan
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 3633 - 3643
• a: 9.7371 ± 0.0009 Å
• b: 10.1536 ± 0.001 Å
• c: 12.7652 ± 0.0012 Å
• α: 102.012 ± 0.003°
• β: 94.177 ± 0.002°
• γ: 110.29 ± 0.002°
• Cell volume: 1143.27 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0689
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No