Information card for entry 7153296

Structure parameters

• Formula: C19 H33 N O5
• Calculated formula: C19 H33 N O5
• SMILES: C1(=O)[C@@H]2CC[C@H](C1)[C@@H]([C@H]2[NH+]1[C@@H](CCC1)C(=O)[O-])CCCC.OCCO
• Title of publication: Multicomponent asymmetric reactions mediated by proline lithium salt.
• Authors of publication: Renzi, Polyssena; Overgaard, Jacob; Bella, Marco
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 980 - 983
• a: 16.6312 ± 0.0014 Å
• b: 8.9394 ± 0.0008 Å
• c: 12.6256 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1877.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No