Information card for entry 1513508

Structure parameters

• Formula: C24 H24 O3
• Calculated formula: C24 H24 O3
• SMILES: O(C)c1c(C(C(=O)c2ccccc2)c2c(OC)ccc(c2)C)cc(C)cc1
• Title of publication: Aerobic Dehydrogenative α-Diarylation of Benzyl Ketones with Aromatics through Carbon-Carbon Bond Cleavage.
• Authors of publication: More, Nagnath Yadav; Jeganmohan, Masilamani
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 804 - 807
• a: 15.1753 ± 0.0011 Å
• b: 8.7875 ± 0.0007 Å
• c: 15.7934 ± 0.0012 Å
• α: 90°
• β: 112.989 ± 0.002°
• γ: 90°
• Cell volume: 1938.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No