Information card for entry 7128587

Structure parameters

• Formula: C27 H30 F N5 O2.5
• Calculated formula: C27 H30 F N5 O2.5
• Title of publication: Multi-component cascade reaction of 3-formylchromones: highly selective synthesis of 4,5-dihydro-[4,5'-bipyrimidin]-6(1H)-one derivatives.
• Authors of publication: Chen, Li; Huang, Rong; Yun, Xing-Han; Hao, Tian-Hui; Yan, Sheng-Jiao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 62
• Pages of publication: 7657 - 7660
• a: 11.2453 ± 0.0013 Å
• b: 11.7271 ± 0.0013 Å
• c: 12.9429 ± 0.0016 Å
• α: 92.075 ± 0.002°
• β: 114.267 ± 0.002°
• γ: 104.496 ± 0.002°
• Cell volume: 1487.7 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2421
• Weighted residual factors for all reflections included in the refinement: 0.3077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No