Information card for entry 2206007

Structure parameters

• Chemical name: Methyl (1R,3R)-6-tert-butoxycarbonylamino-1,5-dioxo-2,3-dihydro-5H-1,3- thiazolo[3,2-a]pyridine-3-carboxylate
• Formula: C14 H18 N2 O6 S
• Calculated formula: C14 H18 N2 O6 S
• SMILES: C1[C@@H](C(=O)OC)n2c(=O)c(ccc2S1=O)NC(=O)OC(C)(C)C
• Title of publication: (1<i>R</i>,3<i>R</i>)-Methyl 6-<i>tert</i>-butoxycarbonylamino-1,5-dioxo-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyridine-3-carboxylate
• Authors of publication: Seger, Harald; Marsch, Michael; Geyer, Armin; Harms, Klaus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1798 - o1799
• a: 11.4352 ± 0.0015 Å
• b: 6.1405 ± 0.0005 Å
• c: 11.5469 ± 0.0014 Å
• α: 90°
• β: 97.785 ± 0.015°
• γ: 90°
• Cell volume: 803.33 ± 0.16 ų
• Cell temperature: 193 ± 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 significantly intense reflections: 0.0242
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes