Information card for entry 1506921

Structure parameters

• Formula: C8 H10 O8
• Calculated formula: C8 H10 O8
• SMILES: O=C(OC)[C@@]1(O)[C@@](O)(C(=O)OC1)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: 8.0511 ± 0.0005 Å
• b: 14.5143 ± 0.001 Å
• c: 8.4402 ± 0.0006 Å
• α: 90°
• β: 91.624 ± 0.001°
• γ: 90°
• Cell volume: 985.89 ± 0.12 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: 0.0358
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No