Information card for entry 4037981

Structure parameters

• Formula: C15 H11 N O4
• Calculated formula: C15 H11 N O4
• SMILES: N12c3ccccc3C(=O)C3=C(O)C=C[C@](OC2=O)([C@H]13)C.N12c3ccccc3C(=O)C3=C(O)C=C[C@@](OC2=O)([C@@H]13)C
• Title of publication: One-pot Synthesis of 1-Hydroxyacridones from para-Quinols and ortho-Methoxycarbonylaryl Isocyanates.
• Authors of publication: Wu, Jing; Zhang, Jinzhu; Soto-Acosta, Ruben; Mao, Lili; Lian, Jiahui; Chen, Kenny; Pillon, Guy; Zhang, Guoqi; Geraghty, Robert J.; Zheng, Shengping
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.209 ± 0.0017 Å
• b: 6.6997 ± 0.001 Å
• c: 29.003 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2372.3 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2476
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No