Information card for entry 7119601

Structure parameters

• Formula: C16 H26 O4
• Calculated formula: C16 H26 O4
• SMILES: O=C1O[C@]2(O[C@@H]([C@H]2O)CCCCCCCCCC)C=C1.O=C1O[C@@]2(O[C@H]([C@@H]2O)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: 5.371 ± 0.0012 Å
• b: 10.283 ± 0.002 Å
• c: 29.398 ± 0.007 Å
• α: 87.277 ± 0.008°
• β: 84.938 ± 0.008°
• γ: 89.485 ± 0.008°
• Cell volume: 1615.5 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No