Information card for entry 4023981

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: 9.2845 ± 0.0007 Å
• b: 5.924 ± 0.0005 Å
• c: 16.6375 ± 0.0013 Å
• α: 90°
• β: 91.433 ± 0.001°
• γ: 90°
• Cell volume: 914.8 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No