Information card for entry 4034233

Structure parameters

• Formula: C30 H20 O
• Calculated formula: C30 H20 O
• SMILES: c12c(c3c(c(c1C(=O)c1c2cccc1)c1ccccc1)cccc3)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: 9.695 ± 0.004 Å
• b: 10.725 ± 0.005 Å
• c: 12.043 ± 0.005 Å
• α: 67.555 ± 0.004°
• β: 69.092 ± 0.004°
• γ: 69.054 ± 0.004°
• Cell volume: 1045.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No