Information card for entry 1562423

Structure parameters

• Formula: C29 H42 O10
• Calculated formula: C29 H42 O10
• SMILES: O1[C@@H](O[C@H]2C[C@@]34OC(=O)[C@@]5(O[C@H](C(=C[C@H]5[C@@H]4C2)C)/C=C/CCCCCCC)C(=O)C3)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
• Title of publication: Cryptic Biosynthesis of the Berkeleypenostatins from Coculture of Extremophilic <i>Penicillium</i> sp.
• Authors of publication: Stierle, Andrea A.; Stierle, Donald B.; Decato, Daniel; Alverson, Jeremy; Apedaile, Lily
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 5
• Pages of publication: 1656 - 1665
• a: 18.8533 ± 0.0006 Å
• b: 7.0067 ± 0.0002 Å
• c: 21.3135 ± 0.0007 Å
• α: 90°
• β: 98.186 ± 0.001°
• γ: 90°
• Cell volume: 2786.81 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No