Information card for entry 8101052

Structure parameters

• Formula: C17 H22 Br2 O6
• Calculated formula: C17 H22 Br2 O6
• SMILES: Br[C@H]1CCC[C@@H]2C[C@H]3[C@@H](O[C@H]4[C@@]12[C@](Br)([C@@]34C(=O)OC)C(=O)OC)OC.Br[C@@H]1CCC[C@H]2C[C@@H]3[C@H](O[C@@H]4[C@]12[C@@](Br)([C@]34C(=O)OC)C(=O)OC)OC
• Title of publication: Crystal structure of dimethyl (1R*,2R*,3S*,4R*,6R*,7R*,9R*,13R*)-2, 13-dibromo-6-methoxy-5-oxatetracyclo[7.4.0.0^1,4^.0^3,7^]tridecane- 2,3-dicarboxylate, C~17~H~22~Br~2~O~6~
• Authors of publication: Peters, Eva-Maria; Peters, Karl; Neumann, Matthias; Tochtermann, Werner
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 469 - 470
• a: 12.207 ± 0.001 Å
• b: 14.06 ± 0.001 Å
• c: 12.402 ± 0.001 Å
• α: 90°
• β: 118.659 ± 0.006°
• γ: 90°
• Cell volume: 1867.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No