Information card for entry 2243379

Structure parameters

• Chemical name: (2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-Oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide
• Formula: C9 H9 N O4
• Calculated formula: C9 H9 N O4
• SMILES: O1C(=O)C=C[C@H]2O[C@@H](C=C[C@@H]12)C(=O)N
• Title of publication: Synthesis and crystal structure of (2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide
• Authors of publication: Greene, John; Kopplin, Noa; Roireau, Jack; Bezpalko, Mark; Kassel, Scott; Giuliano, Michael W.; Giuliano, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 761 - 764
• a: 4.9279 ± 0.0001 Å
• b: 10.635 ± 0.0003 Å
• c: 15.8788 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 832.18 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes