Information card for entry 1546203

Structure parameters

• Chemical name: 3,6-anhydro-2,8-dideoxy-5-O-tert-butyldimethylsilyl-D-glycero-L-gluco-octano-1,4-lactone
• Formula: C14 H26 O5 Si
• Calculated formula: C14 H26 O5 Si
• SMILES: [Si](O[C@H]1[C@@H](O[C@H]2[C@@H]1OC(=O)C2)[C@H](O)C)(C)(C)C(C)(C)C
• Title of publication: Total Synthesis, Configuration Assignment, and Cytotoxic Activity Evaluation of Protulactone A.
• Authors of publication: Markovič, Martin; Koóš, Peter; Čarný, Tomáš; Sokoliová, Saskia; Boháčiková, Nikola; Moncol, Ján; Gracza, Tibor
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 5
• Pages of publication: 1631 - 1638
• a: 5.9878 ± 0.0003 Å
• b: 7.3276 ± 0.0002 Å
• c: 18.7222 ± 0.0007 Å
• α: 90°
• β: 97.466 ± 0.003°
• γ: 90°
• Cell volume: 814.49 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No