Information card for entry 1503030

Structure parameters

• Formula: C41 H55 N4 O11.5
• Calculated formula: C41 H50 N4 O9
• SMILES: COC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
• Title of publication: Synthesis of all-L cyclic tetrapeptides using pseudoprolines as removable turn inducers.
• Authors of publication: Fairweather, Kelly A.; Sayyadi, Nima; Luck, Ian J.; Clegg, Jack K.; Jolliffe, Katrina A.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 14
• Pages of publication: 3136 - 3139
• a: 13.4028 ± 0.0002 Å
• b: 13.4028 ± 0.0002 Å
• c: 41.9587 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6527.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No