Information card for entry 2200073

Structure parameters

• Formula: C34 H33 Br O7
• Calculated formula: C34 H33 Br O7
• SMILES: Brc1cc(OC)c2ccc([C@H]3O[C@H]4[C@@H](OCc5ccccc5)C[C@@H]3[C@@H](OC4)c3ccccc3)c(OC(=O)C)c2c1OC
• Title of publication: <i>endo</i>-(1'<i>R</i>,2'<i>R</i>,5'<i>S</i>,7'<i>R</i>,9'<i>S</i>)-2-(9'-Benzyloxy-2'-phenyl-3',6'-dioxabicyclo[3.2.2]nonan-7'-yl)-7-bromo-5,8-dimethoxynaphthalen-1-yl acetate
• Authors of publication: Timothy J. Brenstrum; Margaret A. Brimble; Peter Turner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o28 - o29
• a: 19.515 ± 0.001 Å
• b: 23.667 ± 0.002 Å
• c: 6.541 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3021 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No