Information card for entry 1506698

Structure parameters

• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: C1(=O)OCC[C@](O)(C)[C@H]1CCCc1ccccc1.C1(=O)OCC[C@@](O)(C)[C@@H]1CCCc1ccccc1
• 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: 9.0996 ± 0.0007 Å
• b: 11.5389 ± 0.0008 Å
• c: 25.785 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2707.4 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7612
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No