Information card for entry 7113765

Structure parameters

• Formula: C26 H35 N3 O7
• Calculated formula: C26 H35 N3 O7
• SMILES: O=C1N([C@H](C(=O)NCC(=O)OCC=CCOC(=O)N2[C@H]1CCC2)C(C)C)[C@@H](C)c1cc(ccc1)OC
• Title of publication: Via Ugi reactions to conformationally fixed cyclic peptides
• Authors of publication: Hebach, Christina; Kazmaier, Uli
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 596 - 597
• a: 10.131 ± 0.002 Å
• b: 20.904 ± 0.004 Å
• c: 12.459 ± 0.002 Å
• α: 90°
• β: 92.53 ± 0.03°
• γ: 90°
• Cell volume: 2636 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103992
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No