Information card for entry 7251651

Structure parameters

• Formula: C16 H21 Br F2 O6
• Calculated formula: C16 H21 Br F2 O6
• Title of publication: Solvent-controlled divergent 1,2-dialkylation and 1,1,2-bromodialkylation of terminal alkynes to access difluoroalkylated cyclopentanes
• Authors of publication: Han, Jianguo; Lang, Yatao; Zhu, Chen; Yue, Huifeng
• Journal of publication: Green Chemistry
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 4842 - 4849
• a: 7.2575 ± 0.0003 Å
• b: 10.68 ± 0.0005 Å
• c: 12.7493 ± 0.0004 Å
• α: 108.466 ± 0.004°
• β: 106.202 ± 0.004°
• γ: 93.974 ± 0.004°
• Cell volume: 886.5 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0701
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No