Information card for entry 2202273

Structure parameters

• Formula: C14 H13 N O4
• Calculated formula: C14 H13 N O4
• SMILES: n1c2occc2c(OC)c2c1c(OC)c(OC)cc2
• Title of publication: Redetermination of skimmianine: a new inhibitor against the Leishmania APRT enzyme
• Authors of publication: Napolitano, H. B.; Silva, M.; Ellena, J.; Rocha, W. C.; Vieira, P. C.; Thiemann, O. H.; Oliva, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1503 - o1505
• a: 7.2429 ± 0.0001 Å
• b: 10.4418 ± 0.0002 Å
• c: 15.4618 ± 0.0003 Å
• α: 90°
• β: 94.353 ± 0.001°
• γ: 90°
• Cell volume: 1165.99 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• 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
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No