Information card for entry 7219981

Structure parameters

• Formula: C24 H25 Br2 O6
• Calculated formula: C23 H22 Br2 O6
• SMILES: Brc1ccc(CO[C@@H]2[C@H](OCc3ccc(Br)cc3)[C@@H]3C[C@H]2[C@@H](C(=O)O)[C@@H]3C(=O)O)cc1.Brc1ccc(CO[C@H]2[C@@H](OCc3ccc(Br)cc3)[C@H]3C[C@@H]2[C@H](C(=O)O)[C@H]3C(=O)O)cc1
• Title of publication: Synthesis of norbornane bisether antibiotics via silver-mediated alkylation
• Authors of publication: Hickey, Shane M.; Ashton, Trent D.; 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: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 36
• Pages of publication: 28582
• a: 13.3929 ± 0.0001 Å
• b: 5.4658 ± 0.0001 Å
• c: 33.5433 ± 0.0004 Å
• α: 90°
• β: 97.438 ± 0.001°
• γ: 90°
• Cell volume: 2434.81 ± 0.06 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No