Information card for entry 4100439

Structure parameters

• Formula: C18 H15 Br O5
• Calculated formula: C18 H15 Br O5
• SMILES: Brc1ccc(C(=O)Oc2c(OC)cc3O[C@H]4OCC[C@H]4c3c2)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 5.0429 ± 0.0007 Å
• b: 9.789 ± 0.0013 Å
• c: 33.327 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1645.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No