Information card for entry 7125599

Structure parameters

• Formula: C17 H29 N3 O3
• Calculated formula: C17 H29 N3 O3
• Title of publication: Accessing the disallowed conformations of peptides employing amide-to-imidate modification.
• Authors of publication: Reddy, Damodara N.; Thirupathi, Ravula; Prabhakaran, Erode N.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 9417 - 9419
• a: 10.1 ± 0.005 Å
• b: 10.997 ± 0.005 Å
• c: 16.768 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1862.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No