Information card for entry 4034232

Structure parameters

• Formula: C31 H21 F O2
• Calculated formula: C31 H21 F O2
• SMILES: c12c(c3c(c(c1ccc(OC)c2)c1ccc(F)cc1)C(=O)c1c3cccc1)c1ccc(cc1)C
• Title of publication: Synthesis of Divergent Benzo[ b]fluorenones through Cycloaromatization Reactions of 1,5-Enynols and 1,5-Diynols.
• Authors of publication: Yan, Bingyu; Fu, Yang; Zhu, Hui; Chen, Zhiyuan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 4246 - 4262
• a: 7.6236 ± 0.0014 Å
• b: 11.458 ± 0.002 Å
• c: 14.056 ± 0.003 Å
• α: 108.113 ± 0.002°
• β: 90.803 ± 0.002°
• γ: 96.502 ± 0.002°
• Cell volume: 1157.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No