Information card for entry 7152209

Structure parameters

• Formula: C10 H11 N O5
• Calculated formula: C10 H11 N O5
• SMILES: C1(=O)N2[C@@H](CO1)C(=O)[C@@H]1[C@H]([C@H]21)C(=O)OCC
• Title of publication: Stereoselective synthesis and applications of nitrogen substituted donor-acceptor cyclopropanes (N-DACs) in the divergent synthesis of azacycles.
• Authors of publication: Gharpure, Santosh J.; Vijayasree, U.; Reddy, S. Raja Bhushan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1735 - 1738
• a: 16.4826 ± 0.0006 Å
• b: 6.8123 ± 0.0003 Å
• c: 9.0139 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1012.12 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No