Information card for entry 1506700

Structure parameters

• Formula: C13 H15 Cl O3
• Calculated formula: C13 H15 Cl O3
• SMILES: O1C(=O)[C@H]([C@](O)(C)CC1)Cc1ccc(Cl)cc1
• 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: 7.418 ± 0.0002 Å
• b: 9.0469 ± 0.0003 Å
• c: 18.673 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1253.14 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No