Information card for entry 7157558

Structure parameters

• Formula: C21 H16.5 Br2 O2.25
• Calculated formula: C21 H16 Br2 O2.25
• Title of publication: Facile access to 2,2-diaryl 2H-chromenes through a palladium-catalyzed cascade reaction of ortho-vinyl bromobenzenes with N-tosylhydrazones.
• Authors of publication: Zhang, Heng; Yu, Yinghua; Huang, Xueliang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 5115 - 5119
• a: 20.474 ± 0.005 Å
• b: 20.474 ± 0.005 Å
• c: 9.72 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4074.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No