Information card for entry 4022313

Structure parameters

• Formula: C14 H10 F6 N2
• Calculated formula: C14 H10 F6 N2
• Title of publication: Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement
• Authors of publication: Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 120 - 129
• a: 9.357 ± 0.003 Å
• b: 12.235 ± 0.004 Å
• c: 6.691 ± 0.002 Å
• α: 99.86 ± 0.02°
• β: 109.11 ± 0.02°
• γ: 85.38 ± 0.02°
• Cell volume: 712.9 ± 0.4 ų
• Cell temperature: 221 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 significantly intense reflections: 6.8
• Weighted residual factors for significantly intense reflections: 6.6
• Goodness-of-fit parameter for significantly intense reflections: 1.85
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No