Information card for entry 4115460

Structure parameters

• Common name: compound 34
• Formula: C23 H40 O6
• Calculated formula: C23 H40 O6
• SMILES: O1C(=O)[C@@H]([C@@H](O)[C@@H]([C@H]2O[C@](O)([C@@H](C[C@@H]2C)C)[C@@H]([C@@H](O)C(=C[C@@H]([C@H]1C)C)C)C)C)C
• Title of publication: Precursor-Directed Biosynthesis of 16-Membered Macrolides by the Erythromycin Polyketide Synthase
• Authors of publication: Kenji Kinoshita; Paul G Williard; Chaitan Khosla; David E. Cane
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 2495 - 2502
• a: 10.552 ± 0.006 Å
• b: 18.024 ± 0.011 Å
• c: 13.083 ± 0.008 Å
• α: 90°
• β: 98.296 ± 0.012°
• γ: 90°
• Cell volume: 2462 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1527
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No