Information card for entry 2010294

Structure parameters

• Chemical name: 10,13,19-trihdroxy-4,4,7,12a,16,21a-hexamethyl-1,4,5,5a,7a,12a,13,14,14a,15,18- dodecahydrodicyclohepta[e:e']cycloundeca[1.2-b;5,6-b]dipyran-9,18-dione
• Formula: C33 H40 O7
• Calculated formula: C33 H38.5 O7
• SMILES: O[C@@H]1C[C@H]2Cc3c(cc(=O)c(O)cc3O[C@@]2(C/C=C/C(C[C@H]2Cc3c(cc(=O)c(O)cc3O[C@@]12C)C)(C)C)C)C
• Title of publication: Eupenifeldin
• Authors of publication: Gao, Q.; Mayerl, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2033 - 2036
• a: 11.519 ± 0.001 Å
• b: 15.6 ± 0.001 Å
• c: 32.258 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5796.6 ± 0.7 ų
• Cell temperature: 290 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 significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.852
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No