Information card for entry 2000283

Structure parameters

• Formula: C11 H11 N O4
• Calculated formula: C11 H11 N O4
• SMILES: O=C1OC(CC(=O)OC)c2nccc(C)c12
• Title of publication: Structure of methyl 1,3-dihydro-4-methyl-3-oxofuro[3,4-<i>b</i>]pyridin-1-ylacetate
• Authors of publication: Bałczewski, P.; Beddoes, R. L.; Joule, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 1457 - 1460
• a: 10.28 ± 0.01 Å
• b: 15.45 ± 0.03 Å
• c: 6.752 ± 0.002 Å
• α: 90°
• β: 95.88 ± 0.06°
• γ: 90°
• Cell volume: 1067 ± 2 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No