Information card for entry 7125600

Structure parameters

• Formula: C17 H31 N3 O4
• Calculated formula: C17 H31 N3 O4
• 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: 6.031 ± 0.005 Å
• b: 8.634 ± 0.005 Å
• c: 18.78 ± 0.005 Å
• α: 90°
• β: 94.933 ± 0.005°
• γ: 90°
• Cell volume: 974.3 ± 1 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: 0.073
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No