Information card for entry 1506919

Structure parameters

• Formula: C11 H14 O8
• Calculated formula: C11 H14 O8
• SMILES: O1C(=O)[C@@]2(OC(O[C@]2(C(=O)OC)C1)(C)C)C(=O)OC
• Title of publication: Asymmetric synthesis of the AB ring system of lactonamycin.
• Authors of publication: Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 26
• Pages of publication: 4953 - 4956
• a: 8.0032 ± 0.0018 Å
• b: 10.171 ± 0.002 Å
• c: 8.0938 ± 0.0018 Å
• α: 90°
• β: 99.584 ± 0.005°
• γ: 90°
• Cell volume: 649.6 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No