Information card for entry 1504793

Structure parameters

• Formula: C20 H24 Cl N O7
• Calculated formula: C20 H24 Cl N O7
• SMILES: c1cc(ccc1[C@@H]1[C@](C(=O)C)(C(=O)OCC)C[C@@H](CC(=O)OCC)[C@H]1N(=O)=O)Cl
• Title of publication: Control of four stereocenters in an organocatalytic domino double Michael reaction: efficient synthesis of multisubstituted cyclopentanes.
• Authors of publication: Tan, Bin; Shi, Zugui; Chua, Pei Juan; Zhong, Guofu
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 3425 - 3428
• a: 8.7123 ± 0.0006 Å
• b: 10.2062 ± 0.0009 Å
• c: 12.7578 ± 0.0009 Å
• α: 90°
• β: 106.742 ± 0.004°
• γ: 90°
• Cell volume: 1086.33 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No