Information card for entry 1506214

Structure parameters

• Formula: C11 H18 O6
• Calculated formula: C11 H18 O6
• SMILES: OC(=O)[C@@H]1CC[C@@](O)(C(=O)OC)[C@H](O)[C@H](C1)C.OC(=O)[C@H]1CC[C@](O)(C(=O)OC)[C@@H](O)[C@@H](C1)C
• Title of publication: Synthetic studies on the MARDi cascade: stereoselective synthesis of heterocyclic seven-membered rings.
• Authors of publication: Coquerel, Yoann; Bensa, David; Doutheau, Alain; Rodriguez, Jean
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4819 - 4822
• a: 12.417 ± 0.001 Å
• b: 5.357 ± 0.0003 Å
• c: 18.569 ± 0.002 Å
• α: 90 ± 0.01°
• β: 96.63 ± 0.005°
• γ: 90 ± 0.01°
• Cell volume: 1226.91 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No