Information card for entry 4027235

Structure parameters

• Formula: C20 H29 Cl N2 O2
• Calculated formula: C20 H29 Cl N2 O2
• SMILES: c1(ccc(cc1)NC(\CC)=C(C(=O)CC)\C(=O)N(C(C)C)C(C)C)Cl
• 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: 9.7188 ± 0.0009 Å
• b: 9.6693 ± 0.0009 Å
• c: 22.025 ± 0.002 Å
• α: 90°
• β: 90.29 ± 0.001°
• γ: 90°
• Cell volume: 2069.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No