Information card for entry 4131674

Structure parameters

• Formula: C15 H18 O3
• Calculated formula: C15 H18 O3
• SMILES: O=C1O[C@@H]([C@H](C(=O)[C@@H]1C)C)CCc1ccccc1
• Title of publication: Biomimetic Synthesis of Lankacidin Antibiotics.
• Authors of publication: Zheng, Kuan; Shen, Defeng; Hong, Ran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 37
• Pages of publication: 12939 - 12942
• a: 6.7578 ± 0.0015 Å
• b: 7.6767 ± 0.0018 Å
• c: 26.524 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1376 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No