Information card for entry 4026852

Structure parameters

• Formula: C18 H18 O2 Se
• Calculated formula: C18 H18 O2 Se
• SMILES: [Se]([C@H](C)C(=O)c1ccccc1)[C@H](C)C(=O)c1ccccc1.[Se]([C@@H](C)C(=O)c1ccccc1)[C@@H](C)C(=O)c1ccccc1
• Title of publication: Reaction of Selenium Dioxide with Aromatic Ketones in the Presence of Boron Triflouride Etherate: A Protocol for the Synthesis of Triarylethanones
• Authors of publication: Badaker M. Laloo; Hormi Mecadon; Md. Rumum Rohman; Iadeishisha Kharbangar; Icydora Kharkongor; Mantu Rajbangshi; Rishanlang Nongkhlaw; Bekington Myrboh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 707 - 712
• a: 9.713 ± 0.0012 Å
• b: 14.82 ± 0.0014 Å
• c: 11.4273 ± 0.0014 Å
• α: 90°
• β: 108.803 ± 0.014°
• γ: 90°
• Cell volume: 1557.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0283
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No