Information card for entry 1506455

Structure parameters

• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• SMILES: O1C(=O)[C@H]2C=C3[C@@]45O[C@@H]1[C@@]2([C@@H]4CC[C@]([C@@H]5C(=O)OC(=C3)OC)(C=C)C)C
• Title of publication: Transtaganolides A-D: novel metabolites from Thapsia transtagana.
• Authors of publication: Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 881 - 884
• a: 19.327 ± 0.009 Å
• b: 19.327 ± 0.009 Å
• c: 9.814 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3666 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No