Information card for entry 7119600

Structure parameters

• Formula: C16 H26 O4
• Calculated formula: C16 H26 O4
• SMILES: O=C1O[C@]2(O[C@H]2[C@H](O)CCCCCCCCCC)C=C1
• Title of publication: Synthesis of ramariolide natural products and discovery of their targets in mycobacteria.
• Authors of publication: Lehmann, Johannes; Richers, Johannes; Pöthig, Alexander; Sieber, Stephan A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 107 - 110
• a: 5.3751 ± 0.0003 Å
• b: 7.6377 ± 0.0004 Å
• c: 38.647 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1586.59 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0375
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No