Information card for entry 7213326

Structure parameters

• Formula: C15 H19 N O3
• Calculated formula: C15 H19 N O3
• SMILES: OC(=O)[C@@H]1N(CCCC1(C)C)C(=O)c1ccccc1
• 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: 7.1046 ± 0.0007 Å
• b: 7.2949 ± 0.0005 Å
• c: 13.3142 ± 0.0014 Å
• α: 90°
• β: 93.036 ± 0.012°
• γ: 90°
• Cell volume: 689.07 ± 0.11 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No