Information card for entry 7154458

Structure parameters

• Formula: C19 H30 O6
• Calculated formula: C19 H30 O6
• SMILES: O(C(=O)[C@H]1[C@H]2[C@@H]3OC(O[C@@H]3[C@@H]([C@@H]1C(=O)OC)C2)CCCCCCC)C.O(C(=O)[C@@H]1[C@@H]2[C@H]3OC(O[C@H]3[C@H]([C@H]1C(=O)OC)C2)CCCCCCC)C
• Title of publication: Synthesis and evaluation of cationic norbornanes as peptidomimetic antibacterial agents.
• Authors of publication: Hickey, Shane M.; Ashton, Trent D.; Khosa, Simren K.; Robson, Ryan N.; White, Jonathan M.; Li, Jian; Nation, Roger L.; Yu, Heidi Y.; Elliott, Alysha G.; Butler, Mark S.; Huang, Johnny X.; Cooper, Matthew A.; Pfeffer, Frederick M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6225 - 6241
• a: 5.6122 ± 0.0002 Å
• b: 9.9184 ± 0.0005 Å
• c: 17.5824 ± 0.001 Å
• α: 102.312 ± 0.005°
• β: 94.807 ± 0.004°
• γ: 102.041 ± 0.004°
• Cell volume: 926.69 ± 0.08 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No