Information card for entry 1504542

Structure parameters

• Formula: C27 H38 O12
• Calculated formula: C27 H36 O12
• SMILES: O1C(=O)[C@]2([C@]3(O)[C@@H](C(=O)[C@@H](O[C@H]13)C)[C@@]1([C@H]([C@H](C3=CC(=O)OC(C3=C[C@H]1OC(=O)OC)(C)C)C)C2)C)C.OC.O
• Title of publication: Three new polyketide-terpenoid hybrids from Penicillium sp.
• Authors of publication: Iida, Motoo; Ooi, Takashi; Kito, Keijiro; Yoshida, Sanae; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 845 - 848
• a: 8.674 ± 0.002 Å
• b: 10.289 ± 0.003 Å
• c: 29.529 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2635.4 ± 1.2 ų
• Cell temperature: 123.1 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: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No