Information card for entry 7213325

Structure parameters

• Formula: C24 H35 N3 O6
• Calculated formula: C24 H35 N3 O6
• SMILES: O=C(NCC(=O)OC)[C@H]1N([C@@H](CCC1(C)C)c1ccccc1)C(=O)CNC(=O)OC(C)(C)C.O=C(NCC(=O)OC)[C@@H]1N([C@H](CCC1(C)C)c1ccccc1)C(=O)CNC(=O)OC(C)(C)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: 22.179 ± 0.002 Å
• b: 10.9087 ± 0.0008 Å
• c: 10.7255 ± 0.0009 Å
• α: 90°
• β: 103.857 ± 0.011°
• γ: 90°
• Cell volume: 2519.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No