Information card for entry 4023096

Structure parameters

• Formula: C25 H29 N
• Calculated formula: C25 H29 N
• SMILES: c1ccccc1CNc1ccccc1[C@@H](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: 9.5778 ± 0.0007 Å
• b: 11.0329 ± 0.0008 Å
• c: 10.1225 ± 0.0007 Å
• α: 90°
• β: 110.243 ± 0.001°
• γ: 90°
• Cell volume: 1003.58 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No