Information card for entry 4023094

Structure parameters

• Formula: C23 H31 N O2
• Calculated formula: C23 H31 N O2
• SMILES: CC(C)(C)OC(=O)Nc1ccccc1C(C(C)(C)C)Cc1ccccc1
• Title of publication: Carbolithiation of o-Amino-(E)-Stilbenes: Diastereoselective Electrophile Substitution with Applications to Quinoline Synthesis
• Authors of publication: Anne-Marie L. Hogan; Donal F. O'Shea
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9557 - 9571
• a: 11.7549 ± 0.0011 Å
• b: 12.055 ± 0.0011 Å
• c: 16.4347 ± 0.0015 Å
• α: 100.452 ± 0.002°
• β: 109.624 ± 0.002°
• γ: 99.259 ± 0.002°
• Cell volume: 2094.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No