Information card for entry 4027234

Structure parameters

• Formula: C20 H23 N O4
• Calculated formula: C20 H23 N O4
• SMILES: Cc1ccc(cc1)Nc1c(c(c(c(c1C(=O)CC)O)C(=O)OC)C)C
• Title of publication: Synthesis of Acridines and Persubstituted Phenols from Cyclobutenones and Active Methylene Ketones
• Authors of publication: Xiao-Dan Han; Yu-Long Zhao; Jia Meng; Chuan-Qing Ren; Qun Liu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5173 - 5178
• a: 9.5109 ± 0.0012 Å
• b: 17.89 ± 0.002 Å
• c: 10.9068 ± 0.0013 Å
• α: 90°
• β: 99.108 ± 0.002°
• γ: 90°
• Cell volume: 1832.4 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No