Information card for entry 7154941

Structure parameters

• Formula: C35 H30 O11
• Calculated formula: C35 H30 O11
• SMILES: O1[C@@]2(Oc3c4[C@@H](OC(=O)c5c4c(c4c3[C@@]36[C@H]([C@@H]4C(=O)c4c3c(c(O)cc4C)C(=O)OC6)OC(=O)C)c(cc5O)C)C2)[C@@H]([C@H](C1)C)C
• Title of publication: Talaroketals A and B, unusual bis(oxaphenalenone) spiro and fused ketals from the soil fungus Talaromyces stipitatus ATCC 10500.
• Authors of publication: Zang, Yi; Genta-Jouve, Grégory; Retailleau, Pascal; Escargueil, Alexandre; Mann, Stéphane; Nay, Bastien; Prado, Soizic
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2691 - 2697
• a: 10.9476 ± 0.0007 Å
• b: 11.5394 ± 0.0007 Å
• c: 12.4589 ± 0.0008 Å
• α: 90.289 ± 0.006°
• β: 110.381 ± 0.008°
• γ: 105.805 ± 0.007°
• Cell volume: 1410.87 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No