Information card for entry 1506699

Structure parameters

• Formula: C9 H16 O3
• Calculated formula: C9 H16 O3
• SMILES: C1(=O)OCC[C@](O)(C)[C@H]1C(C)C.C1(=O)OCC[C@@](O)(C)[C@@H]1C(C)C
• Title of publication: Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.
• Authors of publication: Lam, Hon Wai; Joensuu, Pekka M.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 4225 - 4228
• a: 8.3224 ± 0.0004 Å
• b: 10.8314 ± 0.0005 Å
• c: 10.9546 ± 0.0005 Å
• α: 92.665 ± 0.003°
• β: 106.145 ± 0.003°
• γ: 92.45 ± 0.003°
• Cell volume: 945.92 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No