Information card for entry 7150530

Structure parameters

• Formula: C14 H22 O3
• Calculated formula: C14 H22 O3
• SMILES: O1[C@H]2[C@@H](CC[C@H]([C@@H]2[C@H](C1=O)C(=O)C)C)C(C)C
• Title of publication: Catalyzed addition of diazoacetoacetates to imines: synthesis of highly functionalized aziridines
• Authors of publication: Zhang, Xue-jing; Yan, Ming; Huang, Dan
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 187 - 192
• a: 5.797 ± 0.002 Å
• b: 12.152 ± 0.004 Å
• c: 20.075 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1414.2 ± 0.8 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No