Information card for entry 7110055

Structure parameters

• Formula: C19 H23 N O5
• Calculated formula: C19 H23 N O5
• SMILES: N12C[C@H](O)C[C@@]1(C[C@@H]([C@@H]2/C=C/c1ccccc1)C(=O)OC)C(=O)OC
• Title of publication: Multicomponent synthesis of unnatural pyrrolizidines using 1,3-dipolar cycloaddition of proline esters
• Authors of publication: Juan Mancebo-Aracil; Carmen Najera; Jose M. Sansano
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11218
• a: 11.1442 ± 0.0019 Å
• b: 5.9143 ± 0.001 Å
• c: 13.609 ± 0.002 Å
• α: 90°
• β: 94.567 ± 0.004°
• γ: 90°
• Cell volume: 894.1 ± 0.3 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 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: 0.1096
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No