Information card for entry 1542650

Structure parameters

• Formula: C10 H4 Br F8 N O2
• Calculated formula: C10 H4 Br F8 N O2
• SMILES: BrC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(N(=O)=O)cc1
• Title of publication: Versatile Route to Arylated Fluoroalkyl Bromide Building Blocks.
• Authors of publication: Kaplan, Peter T.; Vicic, David A.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 884 - 886
• a: 6.1276 ± 0.0006 Å
• b: 8.3737 ± 0.0008 Å
• c: 12.5585 ± 0.0011 Å
• α: 108.992 ± 0.002°
• β: 90.118 ± 0.002°
• γ: 90.223 ± 0.002°
• Cell volume: 609.3 ± 0.1 ų
• Cell temperature: 145 ± 2 K
• Ambient diffraction temperature: 145 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No