Information card for entry 4104297

Structure parameters

• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: COCOc1ccccc1/C(=C/c1ccccc1)C(=O)O
• Title of publication: Selective Vinyl C-H Lithiation of cis-Stilbenes
• Authors of publication: Thomas Tricotet; Patricia Fleming; Juliet Cotter; Anne-Marie L. Hogan; Carsten Strohmann; Viktoria H. Gessner; Donal F. O'Shea
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3142 - 3143
• a: 8.5986 ± 0.0015 Å
• b: 9.1115 ± 0.0017 Å
• c: 9.5605 ± 0.0017 Å
• α: 101.637 ± 0.004°
• β: 100.532 ± 0.003°
• γ: 91.312 ± 0.004°
• Cell volume: 719.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0584
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No