Information card for entry 2004690

Structure parameters

• Formula: C22 H38 O4
• Calculated formula: C22 H38 O4
• SMILES: CC(=O)OC[C@@H]([C@]1(C)CC[C@H]2[C@@](O1)(C)CC[C@@H]1[C@]2(C)CCCC1(C)C)O
• Title of publication: Tarapacol 15-Acetate, a New Diterpenoid from <i>Grindelia tarapacana Phil</i>.
• Authors of publication: Zhou, L.; Timmermann, B. N.; Grittini, C.; Bruck, M. A.; Enemark, J. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1042 - 1044
• a: 9.72 ± 0.004 Å
• b: 7.657 ± 0.002 Å
• c: 14.708 ± 0.007 Å
• α: 90°
• β: 103.63 ± 0.04°
• γ: 90°
• Cell volume: 1063.8 ± 0.7 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 1.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No