Information card for entry 2003496

Structure parameters

• Formula: C17 H23 N O6
• Calculated formula: C17 H23 N O6
• SMILES: O1c2cc(O)c(cc2OC1)[C@H](O)[C@H]1N(CCC1)C(=O)OC(C)(C)C.O1c2cc(O)c(cc2OC1)[C@@H](O)[C@@H]1N(CCC1)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl 2-[(Hydroxy)(5-hydroxy-1,3-benzodioxol-6-yl)methyl]pyrrolidine-1-carboxylate
• Authors of publication: Bocelli, G.; Cantoni, A.; Bigi, F.; Sartori, G.; Lina, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 993 - 995
• a: 9.791 ± 0.002 Å
• b: 18.974 ± 0.003 Å
• c: 10.358 ± 0.002 Å
• α: 90°
• β: 117.51 ± 0.02°
• γ: 90°
• Cell volume: 1706.7 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No