Information card for entry 7213327

Structure parameters

• Formula: C21 H23 N O3
• Calculated formula: C21 H23 N O3
• SMILES: N1([C@H](CC[C@@]([C@@H]1C(=O)O)(C)c1ccccc1)c1ccccc1)C(=O)C.N1([C@@H](CC[C@]([C@H]1C(=O)O)(C)c1ccccc1)c1ccccc1)C(=O)C
• Title of publication: Multicomponent synthesis of tripeptides containing pipecolic acid derivatives: selective induction of cis- and trans-imide bonds into peptide backbones
• Authors of publication: Maison, Wolfgang; Lützen, Arne; Kosten, Marc; Schlemminger, Imre; Westerhoff, Ole; Saak, Wolfgang; Martens, Jürgen
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1867
• a: 11.1496 ± 0.0007 Å
• b: 8.7609 ± 0.0006 Å
• c: 18.84 ± 0.0012 Å
• α: 90°
• β: 105.449 ± 0.007°
• γ: 90°
• Cell volume: 1773.8 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No