Information card for entry 7150390

Structure parameters

• Formula: C19 H11 N O3
• Calculated formula: C19 H11 N O3
• SMILES: o1c2c(cccc2)c2c1c1c(c3c2cccc3)C(=O)N(C1=O)C
• Title of publication: Aromatic annulation strategy for naphthalenes fused at 1,2- and 3,4-positions with two heterocycles.
• Authors of publication: Zhang, Min; An, Hui-Ying; Zhao, Bao-Guo; Xu, Jian-Hua
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 33 - 35
• a: 9.526 ± 0.0019 Å
• b: 18.319 ± 0.004 Å
• c: 7.942 ± 0.0016 Å
• α: 90°
• β: 96.25 ± 0.03°
• γ: 90°
• Cell volume: 1377.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No