Information card for entry 1506132

Structure parameters

• Formula: C19 H21 N O
• Calculated formula: C19 H21 N O
• SMILES: c12c(cccc1)[C@@H]([C@H](C(=O)N2)c1ccccc1)CCCC.c12c(cccc1)[C@H]([C@@H](C(=O)N2)c1ccccc1)CCCC
• Title of publication: Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.
• Authors of publication: Hogan, Anne-Marie L; O'Shea, Donal F
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3769 - 3772
• a: 12.903 ± 0.004 Å
• b: 15.659 ± 0.005 Å
• c: 17.267 ± 0.006 Å
• α: 98.252 ± 0.006°
• β: 103.842 ± 0.006°
• γ: 108.822 ± 0.005°
• Cell volume: 3112.5 ± 1.8 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: 0.058
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No