Information card for entry 4117625

Structure parameters

• Formula: C25 H30 O6
• Calculated formula: C25 H30 O6
• SMILES: O1C(=O)C=C[C@@]2(C1(C)C)C(=C1[C@@](CC2)(C)[C@@]23C(=C)[C@](C1)(C)C(=O)[C@]2(O)[C@@H](OC3=O)C)C
• Title of publication: Two Separate Gene Clusters Encode the Biosynthetic Pathway for the Meroterpenoids Austinol and Dehydroaustinol in Aspergillus nidulans
• Authors of publication: Hsien-Chun Lo; Ruth Entwistle; Chun-Jun Guo; Manmeet Ahuja; Edyta Szewczyk; Jui-Hsiang Hung; Yi-Ming Chiang; Berl R. Oakley; Clay C. C. Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4709 - 4720
• a: 16.9929 ± 0.0009 Å
• b: 7.3879 ± 0.0004 Å
• c: 17.139 ± 0.0009 Å
• α: 90°
• β: 95.18 ± 0.003°
• γ: 90°
• Cell volume: 2142.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No