Information card for entry 7153579

Structure parameters

• Formula: C32 H24 F6 N2
• Calculated formula: C32 H24 F6 N2
• Title of publication: Vicinal bis(trifluoroacetimidoyl chloride)s: novel building blocks for the synthesis of benzo-fused eight-membered rings via [2 + 2 + 2] cycloadditions.
• Authors of publication: Zhang, Lisi; Li, Yajun; Zhang, Li; Wu, Yongming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 1040 - 1043
• a: 10.4678 ± 0.001 Å
• b: 11.7231 ± 0.0011 Å
• c: 11.8283 ± 0.0012 Å
• α: 69.655 ± 0.002°
• β: 86.031 ± 0.002°
• γ: 80.188 ± 0.002°
• Cell volume: 1341 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No