Information card for entry 2000289

Structure parameters

• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: c12c3C(=O)N(c1c(c(cc2ccn3)OC)OC)C(=O)C
• Title of publication: Structure of 1-acetyl-7,8-dimethoxypyrrolo[2,3,4-<i>ij</i>]isoquinolin-2(1<i>H</i>)-one
• Authors of publication: Street, J. D.; Mills, O. S.; Joule, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 1523 - 1525
• a: 10.385 ± 0.002 Å
• b: 16.419 ± 0.003 Å
• c: 7.539 ± 0.005 Å
• α: 90°
• β: 106.73 ± 0.04°
• γ: 90°
• Cell volume: 1231.1 ± 0.9 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: 0.71069 Å
• Diffraction radiation type: mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No