Information card for entry 4023095

Structure parameters

• Formula: C24 H31 N O4
• Calculated formula: C24 H31 N O4
• SMILES: CC(C)(C)OC(=O)Nc1ccccc1[C@H]([C@H](C(=O)O)c1ccccc1)CCCC.CC(C)(C)OC(=O)Nc1ccccc1[C@@H]([C@@H](C(=O)O)c1ccccc1)CCCC
• 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: 19.9518 ± 0.0016 Å
• b: 12.7312 ± 0.001 Å
• c: 8.8934 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2259 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No