Information card for entry 4037267

Structure parameters

• Formula: C28 H30 O3
• Calculated formula: C28 H30 O3
• SMILES: c12ccccc1OC(C2=O)(c1ccccc1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
• Title of publication: Rhodium-Catalyzed Hydroacylation of para-Quinone Methides with Salicylaldehydes: An Approach to α,α-Diaryl-2-Hydroxy Acetophenones.
• Authors of publication: Yang, Chi; Gao, Shang; Yao, Hequan; Lin, Aijun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 23
• Pages of publication: 11956 - 11964
• a: 11.63 ± 0.03 Å
• b: 18.97 ± 0.05 Å
• c: 12.18 ± 0.03 Å
• α: 90°
• β: 111.9 ± 0.03°
• γ: 90°
• Cell volume: 2493 ± 11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No