Information card for entry 7151357

Structure parameters

• Formula: C19 H30 O3
• Calculated formula: C19 H30 O3
• SMILES: O1[C@H](CC[C@H]2[C@H](C=C[C@H]3C[C@@H](CC[C@H]23)C)C)C[C@@H](O)CC1=O
• Title of publication: Transformations of cyclic nonaketides by Aspergillus terreus mutants blocked for lovastatin biosynthesis at the lovA and lovC genes
• Authors of publication: Sorensen, John L.; Auclair, Karine; Kennedy, Jonathan; Richard Hutchinson, C.; Vederas, John C.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 50
• a: 5.5947 ± 0.0009 Å
• b: 9.6504 ± 0.0017 Å
• c: 31.93 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1723.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.2881
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No