Information card for entry 4104296

Structure parameters

• Formula: C15 H15 B O3
• Calculated formula: C15 H15 B O3
• SMILES: OB(O)/C(=C\c1ccccc1)c1c(OC)cccc1
• 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: 16.132 ± 0.004 Å
• b: 20.076 ± 0.005 Å
• c: 8.573 ± 0.002 Å
• α: 90°
• β: 99.491 ± 0.005°
• γ: 90°
• Cell volume: 2738.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No