Information card for entry 4037982

Structure parameters

• Formula: C14 H11 N O2
• Calculated formula: C14 H11 N O2
• SMILES: O=C1c2c(Nc3c1c(O)ccc3C)cccc2
• 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: 13.891 ± 0.009 Å
• b: 10.032 ± 0.007 Å
• c: 15.905 ± 0.011 Å
• α: 90°
• β: 101.772 ± 0.01°
• γ: 90°
• Cell volume: 2170 ± 3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.0931
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No