Information card for entry 7152546

Structure parameters

• Formula: C18 H25 N O2
• Calculated formula: C18 H25 N O2
• Title of publication: Enantioselective, protecting group-free synthesis of 1S-ethyl-4-substituted quinolizidines.
• Authors of publication: Amat, Mercedes; Semak, Vladislav; Escolano, Carmen; Molins, Elies; Bosch, Joan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 34
• Pages of publication: 6866 - 6875
• a: 7.938 ± 0.003 Å
• b: 23.823 ± 0.004 Å
• c: 9.277 ± 0.003 Å
• α: 90°
• β: 104.96 ± 0.03°
• γ: 90°
• Cell volume: 1694.9 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1709
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No