Information card for entry 1575237

Structure parameters

• Chemical name: 5-bromo-2-methoxy-1,1':4',1''-terphenyl
• Formula: C19 H15 Br O
• Calculated formula: C19 H15 Br O
• Title of publication: A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers.
• Authors of publication: Gao, Yunpeng; Jiang, Julong; Maeda, Satoshi; Kubota, Koji; Ito, Hajime
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 15964 - 15976
• a: 9.7011 ± 0.0001 Å
• b: 12.6871 ± 0.0002 Å
• c: 12.0065 ± 0.0002 Å
• α: 90°
• β: 91.03 ± 0.001°
• γ: 90°
• Cell volume: 1477.51 ± 0.04 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No