Information card for entry 1555922

Structure parameters

• Formula: C10 H17 N O3
• Calculated formula: C10 H17 N O3
• SMILES: C1[C@@H]2C[C@@H](CO2)N1C(=O)OC(C)(C)C
• Title of publication: Synthesis of Chiral Azabicycles from Pyroglutaminols.
• Authors of publication: Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 5748 - 5751
• a: 5.7737 ± 0.0006 Å
• b: 7.9024 ± 0.0007 Å
• c: 11.5568 ± 0.0009 Å
• α: 90°
• β: 100.734 ± 0.006°
• γ: 90°
• Cell volume: 518.07 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No