Information card for entry 7159948

Structure parameters

• Common name: 3,6-Anhydro-2,8-dideoxy-D-glycero-L-gluco-octono-1,4-lactone
• Chemical name: 3,6-Anhydro-2,8-dideoxy-D-glycero-L-gluco-octono-1,4-lactone
• Formula: C8 H12 O5
• Calculated formula: C8 H12 O5
• SMILES: O=C1O[C@H]2[C@H](O[C@H]([C@@H]2O)[C@H](O)C)C1
• Title of publication: First total synthesis of asperilactone B. Revision of absolute stereochemistry of asperilactones B and C.
• Authors of publication: Djokić, Sanja; Benedeković, Goran; Kesić, Jelena; Rodić, Marko V; Popsavin, Mirjana; Popsavin, Velimir; Francuz, Jovana
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 24
• Pages of publication: 4864 - 4867
• a: 5.48541 ± 0.00005 Å
• b: 10.62294 ± 0.00008 Å
• c: 15.21442 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 886.562 ± 0.013 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No