Information card for entry 7157560

Structure parameters

• Formula: C25 H17 Br O
• Calculated formula: C25 H17 Br O
• SMILES: Brc1cc2oc(C(c3ccccc3)c3ccccc3)cc2c2ccccc12
• 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: 16.94 ± 0.003 Å
• b: 10.721 ± 0.002 Å
• c: 10.61 ± 0.002 Å
• α: 90°
• β: 101.81 ± 0.03°
• γ: 90°
• Cell volume: 1886.1 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No