Information card for entry 7159946

Structure parameters

• Common name: 3,6-Anhydro-2,8-dideoxy-L-glycero-D-ido-octono-1,4-lactone
• Chemical name: 3,6-Anhydro-2,8-dideoxy-L-glycero-D-ido-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: 5.37102 ± 0.00006 Å
• b: 12.47818 ± 0.00012 Å
• c: 26.7627 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1793.65 ± 0.03 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: 0.031
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No