Information card for entry 7060886

Structure parameters

• Formula: C20 H16 O5
• Calculated formula: C20 H16 O5
• SMILES: o1c2c(c(c(CC3C(=O)c4cc(ccc4OC3)C)c1=O)O)cccc2
• Title of publication: Direct synthesis of 4-hydroxycoumarins and 4-hydroxy-6-methyl-2-pyrone containing chroman-4-ones via a silver catalyzed radical cascade cyclization reaction
• Authors of publication: Sharma, Suraj; Sarma, Bipul; Baishya, Gakul
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 15475 - 15486
• a: 28.45 ± 0.06 Å
• b: 5 ± 0.01 Å
• c: 24.77 ± 0.06 Å
• α: 90°
• β: 108.16 ± 0.05°
• γ: 90°
• Cell volume: 3348 ± 13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.454
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No