Information card for entry 4104295

Structure parameters

• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• SMILES: Oc1ccccc1C(=C\c1ccccc1)\C(=O)N(CC)CC
• 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: 8.0637 ± 0.0007 Å
• b: 12.3948 ± 0.0011 Å
• c: 31.67 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3165.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No