Information card for entry 4023980

Structure parameters

• Formula: C19 H25 N O6
• Calculated formula: C19 H25 N O6
• SMILES: O1C[C@H](Cc2cc(OC)c(OC)cc2)N2C(=O)C[C@H](CC(=O)OC)C[C@H]12
• Title of publication: Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines
• Authors of publication: Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 5193 - 5201
• a: 6.0352 ± 0.0005 Å
• b: 9.1035 ± 0.0007 Å
• c: 33.275 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1828.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No