Information card for entry 7155523

Structure parameters

• Formula: C29 H20 O2
• Calculated formula: C29 H20 O2
• SMILES: O=C1c2c(OC(=C1C(=C\c1ccccc1)/c1ccccc1)c1ccccc1)cccc2
• Title of publication: Base-mediated insertion reaction of alkynes into carbon-carbon σ-bonds of ethanones: synthesis of hydroxydienone and chromone derivatives.
• Authors of publication: Zhang, Fangfang; Yao, Qiyi; Yuan, Yang; Xu, Murong; Kong, Lingkai; Li, Yanzhong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 2497 - 2500
• a: 10.1572 ± 0.0014 Å
• b: 9.7577 ± 0.0014 Å
• c: 21.796 ± 0.003 Å
• α: 90°
• β: 98.391 ± 0.003°
• γ: 90°
• Cell volume: 2137.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No