Information card for entry 2208714

Structure parameters

• Chemical name: Longipilin acetate
• Formula: C23 H28 O9
• Calculated formula: C23 H28 O9
• SMILES: C/C=C(/C)C(=O)O[C@H]1[C@@H](/C(=C\CC[C@@]2(C)[C@H]([C@H]3[C@H]1C(=C)C(=O)O3)O2)C(=O)OC)OC(=O)C
• Title of publication: Longipilin acetate
• Authors of publication: Ospina, Olga L.; Rojas, Carlos A.; Vega, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1330 - o1332
• a: 8.354 ± 0.009 Å
• b: 16.39 ± 0.07 Å
• c: 16.78 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2298 ± 10 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.2048
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No