Information card for entry 2000598

Structure parameters

• Formula: C17 H18 N2 O5
• Calculated formula: C17 H18 N2 O5
• SMILES: O1C(=C([C@H](c2ccccc12)[C@H](C(=O)OCC)C#N)C(=O)OCC)N.O1C(=C([C@@H](c2ccccc12)[C@@H](C(=O)OCC)C#N)C(=O)OCC)N
• Title of publication: Structure of ethyl 2-(2-amino-3-ethoxycarbonyl-4<i>H</i>-chromen-4-yl)-2-cyanoacetate
• Authors of publication: Kokila, M. K.; Nirmala, K. A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1619 - 1622
• a: 21.335 ± 0.002 Å
• b: 8.516 ± 0.001 Å
• c: 9.273 ± 0.001 Å
• α: 90°
• β: 93.645 ± 0.001°
• γ: 90°
• Cell volume: 1681.4 ± 0.3 ų
• 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
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No