Information card for entry 7113434

Structure parameters

• Formula: C19 H28 O3
• Calculated formula: C19 H28 O3
• SMILES: O1C(=O)C[C@H](O)C[C@H]1/C=C/[C@H]1[C@H](C=C[C@H]2C[C@@H](CC[C@H]12)C)C
• Title of publication: Monacolin N, a compound resulting from derailment of type I iterative polyketide synthase function en route to lovastatin
• Authors of publication: Sorensen, John L.; Vederas, John C.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 1492 - 1493
• a: 5.5364 ± 0.0008 Å
• b: 9.9736 ± 0.0014 Å
• c: 31.173 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1721.3 ± 0.4 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: 0.0628
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103732
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No