Information card for entry 7151951

Structure parameters

• Formula: C21 H39 N5 O8
• Calculated formula: C21 H39 N5 O8
• SMILES: O=C(N1CCC[C@H]1C(=O)NCC(=O)NCCNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C.O
• Title of publication: Concurrent display of both α- and β-turns in a model peptide.
• Authors of publication: Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 16
• Pages of publication: 5762 - 5765
• a: 9.056 ± 0.005 Å
• b: 9.842 ± 0.004 Å
• c: 29.153 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2598 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No