Information card for entry 4026100

Structure parameters

• Formula: C18 H19 N O3
• Calculated formula: C18 H19 N O3
• SMILES: o1c(NC(C)(C)C)c(c2C(=O)c3ccccc3C(=O)c12)CC
• Title of publication: Electronic and Cytotoxic Properties of 2-Amino-naphtho[2,3-b]furan-4,9-diones
• Authors of publication: Sandra Jiménez-Alonso; Judith Guasch; Ana Estévez-Braun; Imma Ratera; Jaume Veciana; Angel G. Ravelo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1634 - 1643
• a: 13.21 ± 0.03 Å
• b: 9.45 ± 0.02 Å
• c: 14.77 ± 0.03 Å
• α: 90°
• β: 112.64 ± 0.03°
• γ: 90°
• Cell volume: 1702 ± 6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• 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
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No