Information card for entry 1502964

Structure parameters

• Formula: C10 H4 F2 I2 N2
• Calculated formula: C10 H4 F2 I2 N2
• SMILES: Ic1c(c(F)ncc1)c1c(F)nccc1I
• Title of publication: Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.
• Authors of publication: Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 2136 - 2139
• a: 7.8972 ± 0.0006 Å
• b: 7.9276 ± 0.0006 Å
• c: 9.8529 ± 0.0007 Å
• α: 99.612 ± 0.001°
• β: 102.278 ± 0.001°
• γ: 92.55 ± 0.001°
• Cell volume: 592.23 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0212
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No