Information card for entry 7151706

Structure parameters

• Formula: C21 H36 Br N2 O3
• Calculated formula: C21 H36 Br N2 O3
• Title of publication: Synthesis, characterization and antioxidant activity of angiotensin converting enzyme inhibitors.
• Authors of publication: Bhuyan, Bhaskar J.; Mugesh, Govindasamy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1356 - 1365
• a: 5.3658 ± 0.0011 Å
• b: 10.1748 ± 0.0018 Å
• c: 10.905 ± 0.002 Å
• α: 82.918 ± 0.011°
• β: 88.385 ± 0.011°
• γ: 78.119 ± 0.012°
• Cell volume: 578.17 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1794
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2661
• Weighted residual factors for all reflections included in the refinement: 0.3022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No