Information card for entry 4029622

Structure parameters

• Formula: C20 H24 N2 O4
• Calculated formula: C20 H24 N2 O4
• SMILES: O1C[C@@H](N2C(=O)CC[C@H]([C@H]12)CCC(=O)OC)Cc1c2ccccc2[nH]c1
• Title of publication: Straightforward methodology for the enantioselective synthesis of benzo[a]- and indolo[2,3-a]quinolizidines.
• Authors of publication: Amat, Mercedes; Santos, Maria M. M.; Bassas, Oriol; Llor, Núria; Escolano, Carmen; Gómez-Esqué, Arantxa; Molins, Elies; Allin, Steven M.; McKee, Vickie; Bosch, Joan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2007
• Journal volume: 72
• Journal issue: 14
• Pages of publication: 5193 - 5201
• a: 8.227 ± 0.003 Å
• b: 28.911 ± 0.009 Å
• c: 8.895 ± 0.003 Å
• α: 90°
• β: 114.81 ± 0.03°
• γ: 90°
• Cell volume: 1920.4 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1165
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4023984
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No