Information card for entry 4034491

Structure parameters

• Chemical name: 1,2,3-triphenylpropan-1-one
• Formula: C21 H18 O
• Calculated formula: C21 H18 O
• SMILES: O=C(C(Cc1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Iron-Catalyzed Ligand Free α-Alkylation of Methylene Ketones and β-Alkylation of Secondary Alcohols Using Primary Alcohols.
• Authors of publication: Alanthadka, Anitha; Bera, Sourajit; Banerjee, Debasis
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 18
• Pages of publication: 11676 - 11686
• a: 11.391 ± 0.002 Å
• b: 5.7875 ± 0.0009 Å
• c: 24.004 ± 0.004 Å
• α: 90°
• β: 93.919 ± 0.014°
• γ: 90°
• Cell volume: 1578.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No