Information card for entry 7115253

Structure parameters

• Formula: C20 H38 N4 O9
• Calculated formula: C20 H36 N4 O9
• Title of publication: Conformationally defined piperazine bis(N-oxides) bearing amino acid derived side chains
• Authors of publication: O’Neil, Ian A.; Potter, Andrew J.; Mike Southern, J.; Steiner, Alexander; Barkley, James V.
• Journal of publication: Chemical Communications
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 2511
• a: 25.424 ± 0.006 Å
• b: 5.956 ± 0.009 Å
• c: 16.654 ± 0.005 Å
• α: 90°
• β: 100.28 ± 0.02°
• γ: 90°
• Cell volume: 2481 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No