Information card for entry 7106022

Structure parameters

• Formula: C17 H20 Cl N O4
• Calculated formula: C17 H20 Cl N O4
• SMILES: Clc1ccc(cc1)[C@H]1N[C@H](C2([C@H]1C(=O)OCC)CC2)C(=O)OC
• Title of publication: Stereoselective Construction of 5-aza-Spiro[2,4] heptane Motif via Catalytic Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides and Ethyl Cyclopropylidene Acetate
• Authors of publication: Tang-Lin Liu; zhao-lin He; Hai-Yan Tao; Yue-Peng Cai; Chun-Jiang Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2616
• a: 9.479 ± 0.002 Å
• b: 27.837 ± 0.006 Å
• c: 13.143 ± 0.003 Å
• α: 90°
• β: 90.399 ± 0.003°
• γ: 90°
• Cell volume: 3467.9 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No