Information card for entry 1506130

Structure parameters

• Formula: C24 H31 N O3
• Calculated formula: C24 H31 N O3
• SMILES: N1([C@H](O)[C@H](c2ccccc2)[C@@H](C(C)(C)C)c2ccccc12)C(=O)OC(C)(C)C.N1([C@@H](O)[C@@H](c2ccccc2)[C@H](C(C)(C)C)c2ccccc12)C(=O)OC(C)(C)C
• 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: 15.134 ± 0.01 Å
• b: 25.283 ± 0.016 Å
• c: 11.758 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4499 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No